ethyl 5-(1-methylindol-3-yl)-2-[(1S)-3-methyl-1-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 5-(1-methylindol-3-yl)-2-[(1S)-3-methyl-1-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(1S)-1-(benzyloxycarbonylamino)-3-methyl-butyl]-5-(1-methylindol-3-yl)thiazole-4-carboxylate CAS Name: 5-(1-methyl-3-indolyl)-2-[(1S)-3-methyl-1-(phenylmethoxycarbonylamino)butyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-methylindol-3-yl)-2-[(1S)-3-methyl-1-(phenylmethoxycarbonylamino)butyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(1S)-1-(benzyloxycarbonylamino)-3-methyl-butyl]-5-(1-methylindol-3-yl)thiazole-4-carboxylic acid ethyl ester Formula: C28H31N3O4S MolecularWeight: 505.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C28H31N3O4S/c1-5-34-27(32)24-25(21-16-31(4)23-14-10-9-13-20(21)23)36-26(30-24)22(15-18(2)3)29-28(33)35-17-19-11-7-6-8-12-19/h6-14,16,18,22H,5,15,17H2,1-4H3,(H,29,33)/t22-/m0/s1