2-[(5,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(5,6-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(5,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(5,6-dimethoxy-1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(5,6-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(5,6-dimethoxy-1-methyl-indole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C=C1C(=O)NC(CCSC)C(=O)O)OC)OC

Isomeric SMILES

CN1C2=CC(=C(C=C2C=C1C(=O)NC(CCSC)C(=O)O)OC)OC

InChI

InChI=1S/C17H22N2O5S/c1-19-12-9-15(24-3)14(23-2)8-10(12)7-13(19)16(20)18-11(17(21)22)5-6-25-4/h7-9,11H,5-6H2,1-4H3,(H,18,20)(H,21,22)