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

Systemtic Name: ethyl 2-methyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-5-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2-methyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-5-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-5-31-24(30)19-13-20(18-11-9-15(2)10-12-18)28(17(19)4)14-22(29)26-25-27-23-16(3)7-6-8-21(23)32-25/h6-13H,5,14H2,1-4H3,(H,26,27,29)