2-[1-(2-ethylsulfanylquinazolin-4-yl)-5-methoxy-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(2-ethylsulfanylquinazolin-4-yl)-5-methoxy-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(2-ethylsulfanylquinazolin-4-yl)-5-methoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[2-(ethylthio)-4-quinazolinyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(2-ethylsulfanylquinazolin-4-yl)-5-methoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-[2-(ethylthio)quinazolin-4-yl]-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CC=CC=C2C(=N1)N3C(=C(C4=C3C=CC(=C4)OC)CC(=O)O)C

Isomeric SMILES

CCSC1=NC2=CC=CC=C2C(=N1)N3C(=C(C4=C3C=CC(=C4)OC)CC(=O)O)C

InChI

InChI=1S/C22H21N3O3S/c1-4-29-22-23-18-8-6-5-7-15(18)21(24-22)25-13(2)16(12-20(26)27)17-11-14(28-3)9-10-19(17)25/h5-11H,4,12H2,1-3H3,(H,26,27)