6-[(2-cyclohexa-1,4-dien-1-yl-2-isocyanato-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[(2-cyclohexa-1,4-dien-1-yl-2-isocyanato-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[(2-cyclohexa-1,4-dien-1-yl-2-isocyanato-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-(1-cyclohexa-1,4-dienyl)-2-isocyanato-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[(2-cyclohexa-1,4-dien-1-yl-2-isocyanatoacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[(2-cyclohexa-1,4-dien-1-yl-2-isocyanato-acetyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)N=C=O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CCC=CC3)N=C=O)C(=O)O)C

InChI

InChI=1S/C17H19N3O5S/c1-17(2)12(16(24)25)20-14(23)11(15(20)26-17)19-13(22)10(18-8-21)9-6-4-3-5-7-9/h3-4,7,10-12,15H,5-6H2,1-2H3,(H,19,22)(H,24,25)