methyl 4-methyl-3-[5-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[5-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[5-(4-oxo-2-thioxo-thiazolidin-3-yl)pentanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-5-(4-oxo-2-sulfanylidene-3-thiazolidinyl)pentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoylamino]benzoate Traditional Name: 3-[5-(4-keto-2-thioxo-thiazolidin-3-yl)pentanoylamino]-4-methyl-benzoic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCCN2C(=O)CSC2=S

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCCN2C(=O)CSC2=S

InChI

InChI=1S/C17H20N2O4S2/c1-11-6-7-12(16(22)23-2)9-13(11)18-14(20)5-3-4-8-19-15(21)10-25-17(19)24/h6-7,9H,3-5,8,10H2,1-2H3,(H,18,20)