ethyl 3-methyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H19N3O3S2 MolecularWeight: 389.49176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2C)C

InChI

InChI=1S/C18H19N3O3S2/c1-4-24-17(23)16-11(2)9-15(26-16)20-14(22)10-25-18-19-12-7-5-6-8-13(12)21(18)3/h5-9H,4,10H2,1-3H3,(H,20,22)