methyl (6R)-2-[(3-ethoxyphenyl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6R)-2-[(3-ethoxyphenyl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-2-[(3-ethoxybenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[(3-ethoxyphenyl)-oxomethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-2-[(3-ethoxybenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-2-[(3-ethoxybenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H25NO4S/c1-3-30-19-11-7-10-18(14-19)23(27)26-24-22(25(28)29-2)20-13-12-17(15-21(20)31-24)16-8-5-4-6-9-16/h4-11,14,17H,3,12-13,15H2,1-2H3,(H,26,27)/t17-/m1/s1