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

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetate CAS Name: 2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]acetic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate Traditional Name: 2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O4S/c1-12-9-16(13(2)25(12)14-7-8-14)17(26)11-29-19(27)10-24-22(28)21-20(23)15-5-3-4-6-18(15)30-21/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,24,28)