ethyl 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-5-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-5-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-5-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)NC3=NC4=C(C=CC=C4S3)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CCC(=O)NC3=NC4=C(C=CC=C4S3)C)C

InChI

InChI=1S/C26H27N3O3S/c1-5-32-25(31)20-15-21(19-11-9-16(2)10-12-19)29(18(20)4)14-13-23(30)27-26-28-24-17(3)7-6-8-22(24)33-26/h6-12,15H,5,13-14H2,1-4H3,(H,27,28,30)