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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-5-[(3,3-dimethyl-1-oxobutyl)amino]-2-indolecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-5-(3,3-dimethylbutanoylamino)indole-2-carboxylic acid Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=C(S3)Cl

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=C(S3)Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-20(2,3)10-18(24)22-13-4-6-15-12(8-13)9-16(19(25)26)23(15)11-14-5-7-17(21)27-14/h4-9H,10-11H2,1-3H3,(H,22,24)(H,25,26)