7-[(5-azanyl-1-benzothiophen-3-yl)carbonylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(5-azanyl-1-benzothiophen-3-yl)carbonylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(5-aminobenzothiophene-3-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(5-amino-1-benzothiophen-3-yl)-oxomethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(5-amino-1-benzothiophene-3-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(5-aminobenzothiophene-3-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C3=CSC4=C3C=C(C=C4)N)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C3=CSC4=C3C=C(C=C4)N)SC1)C(=O)O

InChI

InChI=1S/C17H15N3O4S2/c1-7-5-26-16-12(15(22)20(16)13(7)17(23)24)19-14(21)10-6-25-11-3-2-8(18)4-9(10)11/h2-4,6,12,16H,5,18H2,1H3,(H,19,21)(H,23,24)