ethyl 2-methyl-1-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-1-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-keto-3-[(6-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(S3)C=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)C)C

InChI

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