ethyl 4-[[4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxidanylidene-but-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxidanylidene-but-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[4-[4-[4-(3,4-dichlorophenyl)thiazol-2-yl]-1-piperidyl]-4-oxo-but-2-enoyl]amino]benzoate CAS Name: 4-[[4-[4-[4-(3,4-dichlorophenyl)-2-thiazolyl]-1-piperidinyl]-1,4-dioxobut-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[4-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-4-oxobut-2-enoyl]amino]benzoate Traditional Name: 4-[[4-[4-[4-(3,4-dichlorophenyl)thiazol-2-yl]piperidino]-4-keto-but-2-enoyl]amino]benzoic acid ethyl ester Formula: C27H25Cl2N3O4S MolecularWeight: 558.4761

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC(=O)N2CCC(CC2)C3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H25Cl2N3O4S/c1-2-36-27(35)18-3-6-20(7-4-18)30-24(33)9-10-25(34)32-13-11-17(12-14-32)26-31-23(16-37-26)19-5-8-21(28)22(29)15-19/h3-10,15-17H,2,11-14H2,1H3,(H,30,33)