[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C)N3C=CC=C3)C

InChI

InChI=1S/C22H25N3O3S/c1-15-16(2)29-21(25-11-5-6-12-25)20(15)22(27)28-14-19(26)23-13-17-7-9-18(10-8-17)24(3)4/h5-12H,13-14H2,1-4H3,(H,23,26)