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

Systemtic Name: dimethyl 5-azanyl-3-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-[(1-allylbenzimidazol-2-yl)sulfanylmethyl]-5-amino-thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-prop-2-enyl-2-benzimidazolyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 3-[[(1-allylbenzimidazol-2-yl)thio]methyl]-5-amino-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3N2CC=C)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC3=CC=CC=C3N2CC=C)C(=O)OC)N

InChI

InChI=1S/C19H19N3O4S2/c1-4-9-22-13-8-6-5-7-12(13)21-19(22)27-10-11-14(17(23)25-2)16(20)28-15(11)18(24)26-3/h4-8H,1,9-10,20H2,2-3H3