4-[[2-azanyl-2-(1-benzothiophen-6-yl)ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-[[2-azanyl-2-(1-benzothiophen-6-yl)ethanoyl]amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[[2-amino-2-(benzothiophen-6-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[[2-amino-2-(1-benzothiophen-6-yl)-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[[2-amino-2-(1-benzothiophen-6-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[[2-amino-2-(benzothiophen-6-yl)acetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(CC2=O)SC1NC(=O)C(C3=CC4=C(C=C3)C=CS4)N)C(=O)O

Isomeric SMILES

CC1=C(N2C(CC2=O)SC1NC(=O)C(C3=CC4=C(C=C3)C=CS4)N)C(=O)O

InChI

InChI=1S/C18H17N3O4S2/c1-8-15(18(24)25)21-12(22)7-13(21)27-17(8)20-16(23)14(19)10-3-2-9-4-5-26-11(9)6-10/h2-6,13-14,17H,7,19H2,1H3,(H,20,23)(H,24,25)