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

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid Openeye Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-methylthiazol-4-yl)methyl]indole-2-carboxylic acid CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-1-[(2-methyl-4-thiazolyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxylic acid Traditional Name: 5-(3,3-dimethylbutanoylamino)-1-[(2-methylthiazol-4-yl)methyl]indole-2-carboxylic acid Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2C3=C(C=C(C=C3)NC(=O)CC(C)(C)C)C=C2C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CN2C3=C(C=C(C=C3)NC(=O)CC(C)(C)C)C=C2C(=O)O

InChI

InChI=1S/C20H23N3O3S/c1-12-21-15(11-27-12)10-23-16-6-5-14(22-18(24)9-20(2,3)4)7-13(16)8-17(23)19(25)26/h5-8,11H,9-10H2,1-4H3,(H,22,24)(H,25,26)