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

Systemtic Name: dimethyl 5-azanyl-3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C14H16N4O4S3 MolecularWeight: 400.49624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NN=C(S2)NCC=C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NN=C(S2)NCC=C)C(=O)OC)N

InChI

InChI=1S/C14H16N4O4S3/c1-4-5-16-13-17-18-14(25-13)23-6-7-8(11(19)21-2)10(15)24-9(7)12(20)22-3/h4H,1,5-6,15H2,2-3H3,(H,16,17)