propan-2-yl 2-[[(2R)-2-phenoxybutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[(2R)-2-phenoxybutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[(2R)-2-phenoxybutanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2R)-1-oxo-2-phenoxybutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[(2R)-2-phenoxybutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2R)-2-phenoxybutanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C)C)OC3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c1-4-17(27-15-10-6-5-7-11-15)20(24)23-21-19(22(25)26-14(2)3)16-12-8-9-13-18(16)28-21/h5-7,10-11,14,17H,4,8-9,12-13H2,1-3H3,(H,23,24)/t17-/m1/s1