ethyl (2R)-5-bromanyl-6-methoxy-2-[[(2S)-3-phenyl-2-(phenylcarbamothioylamino)propanoyl]amino]-1,3-dihydroindene-2-carboxylate

Systemtic Name: ethyl (2R)-5-bromanyl-6-methoxy-2-[[(2S)-3-phenyl-2-(phenylcarbamothioylamino)propanoyl]amino]-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl (2R)-5-bromo-6-methoxy-2-[[(2S)-3-phenyl-2-(phenylcarbamothioylamino)propanoyl]amino]indane-2-carboxylate CAS Name: (2R)-2-[[(2S)-2-[[anilino(sulfanylidene)methyl]amino]-1-oxo-3-phenylpropyl]amino]-5-bromo-6-methoxy-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-5-bromo-6-methoxy-2-[[(2S)-3-phenyl-2-(phenylcarbamothioylamino)propanoyl]amino]-1,3-dihydroindene-2-carboxylate Traditional Name: (2R)-5-bromo-6-methoxy-2-[[(2S)-3-phenyl-2-(phenylthiocarbamoylamino)propanoyl]amino]indane-2-carboxylic acid ethyl ester Formula: C29H30BrN3O4S MolecularWeight: 596.5352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=CC(=C(C=C2C1)Br)OC)NC(=O)C(CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@]1(CC2=CC(=C(C=C2C1)Br)OC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C29H30BrN3O4S/c1-3-37-27(35)29(17-20-15-23(30)25(36-2)16-21(20)18-29)33-26(34)24(14-19-10-6-4-7-11-19)32-28(38)31-22-12-8-5-9-13-22/h4-13,15-16,24H,3,14,17-18H2,1-2H3,(H,33,34)(H2,31,32,38)/t24-,29-/m0/s1