propan-2-yl 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 4-[[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 4-[[(6S)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic acid isopropyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC3=C2CCC(C3)C(C)(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C2=CSC3=C2CC[C@@H](C3)C(C)(C)C

InChI

InChI=1S/C23H29NO3S/c1-14(2)27-22(26)15-6-9-17(10-7-15)24-21(25)19-13-28-20-12-16(23(3,4)5)8-11-18(19)20/h6-7,9-10,13-14,16H,8,11-12H2,1-5H3,(H,24,25)/t16-/m0/s1