methyl 2-(cyclobutylcarbonylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclobutylcarbonylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(cyclobutanecarbonylamino)-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[cyclobutyl(oxo)methyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyclobutanecarbonylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(cyclobutanecarbonylamino)-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4CCC4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4CCC4

InChI

InChI=1S/C21H23NO3S/c1-25-21(24)18-16-11-10-15(13-6-3-2-4-7-13)12-17(16)26-20(18)22-19(23)14-8-5-9-14/h2-4,6-7,14-15H,5,8-12H2,1H3,(H,22,23)