propan-2-yl 2-[(2-phenylcyclopropyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[(2-phenylcyclopropyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(2-phenylcyclopropyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-phenylcyclopropanecarbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC3C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC3C4=CC=CC=C4

InChI

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