[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C15H15N3O5S3 MolecularWeight: 413.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SC

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC=C(C=C1)N2C(=S)SC(=N2)SC

InChI

InChI=1S/C15H15N3O5S3/c1-3-22-13(21)16-11(19)8-23-12(20)9-4-6-10(7-5-9)18-15(24)26-14(17-18)25-2/h4-7H,3,8H2,1-2H3,(H,16,19,21)