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

Systemtic Name: ethyl 2-(cyclobutylcarbonylamino)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3S/c1-2-26-22(25)19-17-12-11-16(14-7-4-3-5-8-14)13-18(17)27-21(19)23-20(24)15-9-6-10-15/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,23,24)