2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]-3-methylsulfanyl-propanoic acid

Systemtic Name: 2-[2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoylamino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-1-oxoethyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetyl]amino]-3-(methylthio)propionic acid Formula: C23H23ClN2O5S MolecularWeight: 474.95712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC(CSC)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NC(CSC)C(=O)O

InChI

InChI=1S/C23H23ClN2O5S/c1-13-17(11-21(27)25-19(12-32-3)23(29)30)18-10-16(31-2)8-9-20(18)26(13)22(28)14-4-6-15(24)7-5-14/h4-10,19H,11-12H2,1-3H3,(H,25,27)(H,29,30)