methyl 4-[[4-oxidanylidene-3-[4-oxidanylidene-4-(pyridin-3-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-3-[4-oxidanylidene-4-(pyridin-3-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-3-[4-oxo-4-(3-pyridylamino)butyl]-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[[4-oxo-3-[4-oxo-4-(3-pyridinylamino)butyl]-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-3-[4-oxo-4-(pyridin-3-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[[4-keto-3-[4-keto-4-(3-pyridylamino)butyl]-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C21H19N3O4S2/c1-28-20(27)15-8-6-14(7-9-15)12-17-19(26)24(21(29)30-17)11-3-5-18(25)23-16-4-2-10-22-13-16/h2,4,6-10,12-13H,3,5,11H2,1H3,(H,23,25)