methyl 2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C20H21N3O3S2/c1-11-7-8-13-14(9-11)22-20(21-13)27-10-16(24)23-18-17(19(25)26-2)12-5-3-4-6-15(12)28-18/h7-9H,3-6,10H2,1-2H3,(H,21,22)(H,23,24)