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

Systemtic Name: ethyl 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=C(C=C3C4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=C(C=C3C4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C26H27N3O4S/c1-4-32-19-11-12-21-23(15-19)34-26(27-21)28-24(30)13-14-29-17(3)20(25(31)33-5-2)16-22(29)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,27,28,30)