ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate

Systemtic Name: ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate Openeye Name: ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methylthiazol-4-yl)methyl]indole-2-carboxylate CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(2-methyl-4-thiazolyl)methyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylate Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-methylthiazol-4-yl)methyl]indole-2-carboxylic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=CSC(=N3)C)C=CC(=C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=CSC(=N3)C)C=CC(=C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H27N3O3S/c1-6-28-21(27)19-10-15-9-16(24-20(26)11-22(3,4)5)7-8-18(15)25(19)12-17-13-29-14(2)23-17/h7-10,13H,6,11-12H2,1-5H3,(H,24,26)