6-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]amino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-(2,3-dihydrobenzofuran-5-yl)-2-[[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(2,3-dihydrobenzofuran-5-yl)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-coumaran-5-yl-2-[[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]amino]acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C24H29N3O7S MolecularWeight: 503.56796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(C1=CC2=C(C=C1)OCC2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC(C1=CC2=C(C=C1)OCC2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O

InChI

InChI=1S/C24H29N3O7S/c1-5-33-16(28)10-12(2)25-17(14-6-7-15-13(11-14)8-9-34-15)20(29)26-18-21(30)27-19(23(31)32)24(3,4)35-22(18)27/h6-7,10-11,17-19,22,25H,5,8-9H2,1-4H3,(H,26,29)(H,31,32)/b12-10+