[2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[1-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)C(=O)COC(=O)C

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C)C(=O)COC(=O)C

InChI

InChI=1S/C19H17ClN2O4S/c1-10-8-14(15(24)9-26-12(3)23)11(2)22(10)21-19(25)18-17(20)13-6-4-5-7-16(13)27-18/h4-8H,9H2,1-3H3,(H,21,25)