ethyl 5-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C20H20N2O4S/c1-5-26-20(25)16-9-13-8-14(6-7-15(13)27-16)22-19(24)18-10(2)17(12(4)23)11(3)21-18/h6-9,21H,5H2,1-4H3,(H,22,24)