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

Systemtic Name: [2-[1-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [2-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)C1=C(N(C(=C1)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

Isomeric SMILES

CCC(=O)OCC(=O)C1=C(N(C(=C1)C)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C

InChI

InChI=1S/C20H19ClN2O4S/c1-4-17(25)27-10-15(24)14-9-11(2)23(12(14)3)22-20(26)19-18(21)13-7-5-6-8-16(13)28-19/h5-9H,4,10H2,1-3H3,(H,22,26)