[2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: [2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[4-[cyano-(4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-[4-[cyano-(4-methoxyphenyl)methyl]piperazino]-2-keto-ethyl] ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H29N3O4S/c1-4-5-19-14-22(32-17(19)2)24(29)31-16-23(28)27-12-10-26(11-13-27)21(15-25)18-6-8-20(30-3)9-7-18/h6-9,14,21H,4-5,10-13,16H2,1-3H3