diethyl 5-azanyl-3-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H22N4O4S3 MolecularWeight: 430.56528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(S2)NC(C)C)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(S2)NC(C)C)C(=O)OCC)N

InChI

InChI=1S/C16H22N4O4S3/c1-5-23-13(21)10-9(11(26-12(10)17)14(22)24-6-2)7-25-16-20-19-15(27-16)18-8(3)4/h8H,5-7,17H2,1-4H3,(H,18,19)