methyl (3S)-2-[2-(4-dimethylaminophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]-3-methyl-pentanoate

Systemtic Name: methyl (3S)-2-[2-(4-dimethylaminophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]-3-methyl-pentanoate Openeye Name: methyl (3S)-2-[2-(4-dimethylaminophenyl)-4-oxo-thiazolidin-3-yl]-3-methyl-pentanoate CAS Name: (3S)-2-[2-(4-dimethylaminophenyl)-4-oxo-3-thiazolidinyl]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (3S)-2-[2-(4-dimethylaminophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylpentanoate Traditional Name: (3S)-2-[2-(4-dimethylaminophenyl)-4-keto-thiazolidin-3-yl]-3-methyl-valeric acid methyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N1C(SCC1=O)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC[C@H](C)C(C(=O)OC)N1C(SCC1=O)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H26N2O3S/c1-6-12(2)16(18(22)23-5)20-15(21)11-24-17(20)13-7-9-14(10-8-13)19(3)4/h7-10,12,16-17H,6,11H2,1-5H3/t12-,16?,17?/m0/s1