6-[2-azanylethanoyl(phenyl)amino]-3-ethenyl-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[2-azanylethanoyl(phenyl)amino]-3-ethenyl-3-methyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-(N-(2-aminoacetyl)anilino)-3-methyl-7-oxo-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-(N-(2-amino-1-oxoethyl)anilino)-3-ethenyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-(N-(2-aminoacetyl)anilino)-3-ethenyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-(N-glycylanilino)-7-keto-3-methyl-3-vinyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)N(C3=CC=CC=C3)C(=O)CN)C(=O)O)C=C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)N(C3=CC=CC=C3)C(=O)CN)C(=O)O)C=C

InChI

InChI=1S/C17H19N3O4S/c1-3-17(2)13(16(23)24)20-14(22)12(15(20)25-17)19(11(21)9-18)10-7-5-4-6-8-10/h3-8,12-13,15H,1,9,18H2,2H3,(H,23,24)