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

Systemtic Name: diethyl 5-azanyl-3-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=CN2C3CC3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=CN2C3CC3)C(=O)OCC)N

InChI

InChI=1S/C17H21N3O4S2/c1-3-23-15(21)12-11(13(26-14(12)18)16(22)24-4-2)9-25-17-19-7-8-20(17)10-5-6-10/h7-8,10H,3-6,9,18H2,1-2H3