6-[[2-azanyl-2-[4-[(5-ethyl-8-oxidanylidene-[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyloxy]phenyl]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-azanyl-2-[4-[(5-ethyl-8-oxidanylidene-[1,3]dioxolo[4,5-g]quinolin-7-yl)carbonyloxy]phenyl]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-amino-2-[4-(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)oxyphenyl]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-amino-2-[4-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinolin-7-yl)-oxomethoxy]phenyl]-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-amino-2-[4-(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)oxyphenyl]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-amino-2-[4-(5-ethyl-8-keto-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)oxyphenyl]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C29H28N4O9S MolecularWeight: 608.61902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)OC4=CC=C(C=C4)C(C(=O)NC5C6N(C5=O)C(C(S6)(C)C)C(=O)O)N

Isomeric SMILES

CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)OC4=CC=C(C=C4)C(C(=O)NC5C6N(C5=O)C(C(S6)(C)C)C(=O)O)N

InChI

InChI=1S/C29H28N4O9S/c1-4-32-11-16(22(34)15-9-18-19(10-17(15)32)41-12-40-18)28(39)42-14-7-5-13(6-8-14)20(30)24(35)31-21-25(36)33-23(27(37)38)29(2,3)43-26(21)33/h5-11,20-21,23,26H,4,12,30H2,1-3H3,(H,31,35)(H,37,38)