ethyl 5-cyclopropyl-2-[(1R)-2-(1H-indol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 5-cyclopropyl-2-[(1R)-2-(1H-indol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(1R)-1-(benzyloxycarbonylamino)-2-(1H-indol-3-yl)ethyl]-5-cyclopropyl-thiazole-4-carboxylate CAS Name: 5-cyclopropyl-2-[(1R)-2-(1H-indol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-2-[(1R)-2-(1H-indol-3-yl)-1-(phenylmethoxycarbonylamino)ethyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(1R)-1-(benzyloxycarbonylamino)-2-(1H-indol-3-yl)ethyl]-5-cyclopropyl-thiazole-4-carboxylic acid ethyl ester Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)C5CC5

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C27H27N3O4S/c1-2-33-26(31)23-24(18-12-13-18)35-25(30-23)22(14-19-15-28-21-11-7-6-10-20(19)21)29-27(32)34-16-17-8-4-3-5-9-17/h3-11,15,18,22,28H,2,12-14,16H2,1H3,(H,29,32)/t22-/m1/s1