4-methyl-2-[2-(2-methyl-5-thiophen-2-yl-1H-indol-3-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-methyl-2-[2-(2-methyl-5-thiophen-2-yl-1H-indol-3-yl)ethanoylamino]benzoic acid Openeye Name: 4-methyl-2-[[2-[2-methyl-5-(2-thienyl)-1H-indol-3-yl]acetyl]amino]benzoic acid CAS Name: 4-methyl-2-[[2-(2-methyl-5-thiophen-2-yl-1H-indol-3-yl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-2-[[2-(2-methyl-5-thiophen-2-yl-1H-indol-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-methyl-2-[[2-[2-methyl-5-(2-thienyl)-1H-indol-3-yl]acetyl]amino]benzoic acid Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=C(NC3=C2C=C(C=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)NC(=O)CC2=C(NC3=C2C=C(C=C3)C4=CC=CS4)C

InChI

InChI=1S/C23H20N2O3S/c1-13-5-7-16(23(27)28)20(10-13)25-22(26)12-17-14(2)24-19-8-6-15(11-18(17)19)21-4-3-9-29-21/h3-11,24H,12H2,1-2H3,(H,25,26)(H,27,28)