4-azanyl-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(3-chlorobenzothiophene-2-carbonyl)amino]-4-keto-butyric acid Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)N)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O4S/c14-10-6-3-1-2-4-8(6)21-11(10)12(18)16-7(13(19)20)5-9(15)17/h1-4,7H,5H2,(H2,15,17)(H,16,18)(H,19,20)