4-[1-[(4-ethylsulfanylphenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoic acid

Systemtic Name: 4-[1-[(4-ethylsulfanylphenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoic acid Openeye Name: 4-[1-[(4-ethylsulfanylphenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butanoic acid CAS Name: 4-[1-[[4-(ethylthio)phenyl]methyl]-5-methoxy-2-methyl-3-indolyl]-3-methylbutanoic acid IUPAC Name: 4-[1-[(4-ethylsulfanylphenyl)methyl]-5-methoxy-2-methylindol-3-yl]-3-methylbutanoic acid Traditional Name: 4-[1-[4-(ethylthio)benzyl]-5-methoxy-2-methyl-indol-3-yl]-3-methyl-butyric acid Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2C(=C(C3=C2C=CC(=C3)OC)CC(C)CC(=O)O)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2C(=C(C3=C2C=CC(=C3)OC)CC(C)CC(=O)O)C

InChI

InChI=1S/C24H29NO3S/c1-5-29-20-9-6-18(7-10-20)15-25-17(3)21(12-16(2)13-24(26)27)22-14-19(28-4)8-11-23(22)25/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,26,27)