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

Systemtic Name: ethyl 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propyl]-2-methyl-5-phenyl-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=CC=C2)CCC(=O)NC3=NC4=C(C=CC=C4S3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-4-31-24(30)19-15-20(18-10-6-5-7-11-18)28(17(19)3)14-13-22(29)26-25-27-23-16(2)9-8-12-21(23)32-25/h5-12,15H,4,13-14H2,1-3H3,(H,26,27,29)