2-[3-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]sulfanylcarbamoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]sulfanylcarbamoylamino]phenyl]ethanoic acid Openeye Name: 2-[3-[[5-(1H-indol-2-yl)-2-methoxy-phenyl]sulfanylcarbamoylamino]phenyl]acetic acid CAS Name: 2-[3-[[[[[5-(1H-indol-2-yl)-2-methoxyphenyl]thio]amino]-oxomethyl]amino]phenyl]acetic acid IUPAC Name: 2-[3-[[5-(1H-indol-2-yl)-2-methoxyphenyl]sulfanylcarbamoylamino]phenyl]acetic acid Traditional Name: 2-[3-[[[5-(1H-indol-2-yl)-2-methoxy-phenyl]thio]carbamoylamino]phenyl]acetic acid Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2)SNC(=O)NC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3N2)SNC(=O)NC4=CC=CC(=C4)CC(=O)O

InChI

InChI=1S/C24H21N3O4S/c1-31-21-10-9-17(20-13-16-6-2-3-8-19(16)26-20)14-22(21)32-27-24(30)25-18-7-4-5-15(11-18)12-23(28)29/h2-11,13-14,26H,12H2,1H3,(H,28,29)(H2,25,27,30)