methyl 4-[[3-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Systemtic Name: methyl 4-[[3-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxidanylidene-propyl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Openeye Name: methyl 4-[[3-[3-(4,5-dihydrothiazol-2-ylamino)-3-oxo-propyl]-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoate CAS Name: 4-[[3-[3-(4,5-dihydrothiazol-2-ylamino)-3-oxopropyl]-4-oxo-2-sulfanylidene-5-thiazolidinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate Traditional Name: 4-[[4-keto-3-[3-keto-3-(2-thiazolin-2-ylamino)propyl]-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid methyl ester Formula: C18H17N3O4S3 MolecularWeight: 435.54028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=NCCS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=NCCS3

InChI

InChI=1S/C18H17N3O4S3/c1-25-16(24)12-4-2-11(3-5-12)10-13-15(23)21(18(26)28-13)8-6-14(22)20-17-19-7-9-27-17/h2-5,10H,6-9H2,1H3,(H,19,20,22)