dimethyl 5-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C(=C(S3)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C20H21N3O5S2/c1-5-23-13-9-7-6-8-12(13)21-20(23)29-10-14(24)22-17-15(18(25)27-3)11(2)16(30-17)19(26)28-4/h6-9H,5,10H2,1-4H3,(H,22,24)