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

Systemtic Name: dimethyl 5-azanyl-3-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(1-cyclopropyl-2-imidazolyl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(1-cyclopropylimidazol-2-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC=CN2C3CC3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC=CN2C3CC3)C(=O)OC)N

InChI

InChI=1S/C15H17N3O4S2/c1-21-13(19)10-9(11(14(20)22-2)24-12(10)16)7-23-15-17-5-6-18(15)8-3-4-8/h5-6,8H,3-4,7,16H2,1-2H3