[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H19ClN2O4S/c22-19-16-3-1-2-4-17(16)29-20(19)21(26)28-13-18(25)23-14-5-7-15(8-6-14)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,23,25)