[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-aminocarbonylbenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-aminocarbonylbenzoate Openeye Name: [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl] 4-carbamoylbenzoate CAS Name: 4-carbamoylbenzoic acid [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl] 4-carbamoylbenzoate Traditional Name: 4-carbamoylbenzoic acid [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H22N2O4S/c1-14-12-19(15(2)24(14)10-9-18-4-3-11-29-18)20(25)13-28-22(27)17-7-5-16(6-8-17)21(23)26/h3-8,11-12H,9-10,13H2,1-2H3,(H2,23,26)