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

Systemtic Name: diethyl 5-azanyl-3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H20N4O4S3 MolecularWeight: 428.5494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4S3/c1-4-7-18-15-19-20-16(27-15)25-8-9-10(13(21)23-5-2)12(17)26-11(9)14(22)24-6-3/h4H,1,5-8,17H2,2-3H3,(H,18,19)