ethyl 5-aminocarbonyl-4-methyl-2-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NC3=CC=CC=C3N2CC=C

InChI

InChI=1S/C21H22N4O4S2/c1-4-10-25-14-9-7-6-8-13(14)23-21(25)30-11-15(26)24-19-16(20(28)29-5-2)12(3)17(31-19)18(22)27/h4,6-9H,1,5,10-11H2,2-3H3,(H2,22,27)(H,24,26)