S-phenyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioate

Systemtic Name: S-phenyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioate Openeye Name: S-phenyl (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanethioate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioic acid S-phenyl ester IUPAC Name: S-phenyl (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanethioic acid S-phenyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)SC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c28-24(31-20-11-5-2-6-12-20)23(15-19-16-26-22-14-8-7-13-21(19)22)27-25(29)30-17-18-9-3-1-4-10-18/h1-14,16,23,26H,15,17H2,(H,27,29)/t23-/m0/s1