3-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methyl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methyl-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methylindol-2-yl]propanoic acid Traditional Name: 3-[5-methoxy-3-methyl-1-(4-thioformylbenzyl)indol-2-yl]propionic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)C=S)CCC(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)C=S)CCC(=O)O

InChI

InChI=1S/C21H21NO3S/c1-14-18-11-17(25-2)7-8-20(18)22(19(14)9-10-21(23)24)12-15-3-5-16(13-26)6-4-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,24)