dimethyl 5-azanyl-3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H20N4O4S3 MolecularWeight: 464.5815

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NN=C(N2C3CC3)CC4=CC=CS4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NN=C(N2C3CC3)CC4=CC=CS4)C(=O)OC)N

InChI

InChI=1S/C19H20N4O4S3/c1-26-17(24)14-12(15(18(25)27-2)30-16(14)20)9-29-19-22-21-13(23(19)10-5-6-10)8-11-4-3-7-28-11/h3-4,7,10H,5-6,8-9,20H2,1-2H3