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

Systemtic Name: ethyl 2-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C22H25N3O4S2/c1-4-29-21(27)19-14-7-5-12(2)9-17(14)31-20(19)25-18(26)11-30-22-23-15-8-6-13(28-3)10-16(15)24-22/h6,8,10,12H,4-5,7,9,11H2,1-3H3,(H,23,24)(H,25,26)