ethyl 4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-2,5-diketo-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H23N3O4S/c1-2-32-25(31)17-7-9-18(10-8-17)28-22(29)15-20(24(28)30)27-13-11-16(12-14-27)23-26-19-5-3-4-6-21(19)33-23/h3-10,15-16H,2,11-14H2,1H3