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

Systemtic Name: S-(phenylmethyl) 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioate Openeye Name: S-benzyl 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanethioate CAS Name: 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanethioate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanethioic acid S-benzyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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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)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)SCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c29-25(32-18-20-11-5-2-6-12-20)24(15-21-16-27-23-14-8-7-13-22(21)23)28-26(30)31-17-19-9-3-1-4-10-19/h1-14,16,24,27H,15,17-18H2,(H,28,30)