3-chloranyl-N-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(3-nitroanilino)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(3-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(3-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(3-nitroanilino)ethyl]benzothiophene-2-carboxamide Formula: C17H12ClN3O4S MolecularWeight: 389.81288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O4S/c18-15-12-6-1-2-7-13(12)26-16(15)17(23)19-9-14(22)20-10-4-3-5-11(8-10)21(24)25/h1-8H,9H2,(H,19,23)(H,20,22)