methyl 2-(3H-benzimidazol-5-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(3H-benzimidazol-5-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(3H-benzimidazole-5-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3H-benzimidazole-5-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3H-benzimidazole-5-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C18H17N3O3S/c1-24-18(23)15-11-4-2-3-5-14(11)25-17(15)21-16(22)10-6-7-12-13(8-10)20-9-19-12/h6-9H,2-5H2,1H3,(H,19,20)(H,21,22)