ethyl 5-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(2-amino-2-oxo-ethyl)sulfanylbenzoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[2-[(2-amino-2-oxoethyl)thio]phenyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(2-amino-2-keto-ethyl)thio]benzoyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C20H18N2O4S2/c1-2-26-20(25)17-10-12-9-13(7-8-15(12)28-17)22-19(24)14-5-3-4-6-16(14)27-11-18(21)23/h3-10H,2,11H2,1H3,(H2,21,23)(H,22,24)