dimethyl 5-azanyl-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H15N3O4S4 MolecularWeight: 453.5787

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NN(C(=S)S2)C3=CC=CC=C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NN(C(=S)S2)C3=CC=CC=C3)C(=O)OC)N

InChI

InChI=1S/C17H15N3O4S4/c1-23-14(21)11-10(12(15(22)24-2)27-13(11)18)8-26-16-19-20(17(25)28-16)9-6-4-3-5-7-9/h3-7H,8,18H2,1-2H3