6-[2-(2-azanylcyclohexa-1,4-dien-1-yl)ethanoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[2-(2-azanylcyclohexa-1,4-dien-1-yl)ethanoylamino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-(2-aminocyclohexa-1,4-dien-1-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(2-amino-1-cyclohexa-1,4-dienyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-(2-aminocyclohexa-1,4-dien-1-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-(2-aminocyclohexa-1,4-dien-1-yl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=C(CC=CC3)N)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=C(CC=CC3)N)C(=O)O)C

InChI

InChI=1S/C16H21N3O4S/c1-16(2)12(15(22)23)19-13(21)11(14(19)24-16)18-10(20)7-8-5-3-4-6-9(8)17/h3-4,11-12,14H,5-7,17H2,1-2H3,(H,18,20)(H,22,23)