[1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(6-tert-butyl-3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC)OC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OCC)OC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C27H33N3O5S/c1-6-20(35-25(32)15-8-11-18-19(12-15)29-14-28-18)23(31)30-24-22(26(33)34-7-2)17-10-9-16(27(3,4)5)13-21(17)36-24/h8,11-12,14,16,20H,6-7,9-10,13H2,1-5H3,(H,28,29)(H,30,31)