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

Systemtic Name: methyl (6R)-6-phenyl-2-[(3-propoxyphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6R)-6-phenyl-2-[(3-propoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-2-[[oxo-(3-propoxyphenyl)methyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-phenyl-2-[(3-propoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-phenyl-2-[(3-propoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H27NO4S/c1-3-14-31-20-11-7-10-19(15-20)24(28)27-25-23(26(29)30-2)21-13-12-18(16-22(21)32-25)17-8-5-4-6-9-17/h4-11,15,18H,3,12-14,16H2,1-2H3,(H,27,28)/t18-/m1/s1