[1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H21N3O5S/c1-11(29-20(26)12-7-8-14-15(9-12)23-10-22-14)18(25)24-19-17(21(27)28-2)13-5-3-4-6-16(13)30-19/h7-11H,3-6H2,1-2H3,(H,22,23)(H,24,25)