3-cyclopentyl-1-methyl-2-[2-(propylamino)-1,3-thiazol-4-yl]indole-6-carboxylic acid

Systemtic Name: 3-cyclopentyl-1-methyl-2-[2-(propylamino)-1,3-thiazol-4-yl]indole-6-carboxylic acid Openeye Name: 3-cyclopentyl-1-methyl-2-[2-(propylamino)thiazol-4-yl]indole-6-carboxylic acid CAS Name: 3-cyclopentyl-1-methyl-2-[2-(propylamino)-4-thiazolyl]-6-indolecarboxylic acid IUPAC Name: 3-cyclopentyl-1-methyl-2-[2-(propylamino)-1,3-thiazol-4-yl]indole-6-carboxylic acid Traditional Name: 3-cyclopentyl-1-methyl-2-[2-(propylamino)thiazol-4-yl]indole-6-carboxylic acid Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=CS1)C2=C(C3=C(N2C)C=C(C=C3)C(=O)O)C4CCCC4

Isomeric SMILES

CCCNC1=NC(=CS1)C2=C(C3=C(N2C)C=C(C=C3)C(=O)O)C4CCCC4

InChI

InChI=1S/C21H25N3O2S/c1-3-10-22-21-23-16(12-27-21)19-18(13-6-4-5-7-13)15-9-8-14(20(25)26)11-17(15)24(19)2/h8-9,11-13H,3-7,10H2,1-2H3,(H,22,23)(H,25,26)