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

Systemtic Name: propan-2-yl 2-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

Click to see the large picture

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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S2/c1-12(2)28-21(27)19-14-6-4-5-7-17(14)30-20(19)25-18(26)11-29-22-23-15-9-8-13(3)10-16(15)24-22/h8-10,12H,4-7,11H2,1-3H3,(H,23,24)(H,25,26)