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

Systemtic Name: 4-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methyl-indol-2-yl]butanoic acid Openeye Name: 4-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methyl-indol-2-yl]butanoic acid CAS Name: 4-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methyl-2-indolyl]butanoic acid IUPAC Name: 4-[1-[(4-methanethioylphenyl)methyl]-5-methoxy-3-methylindol-2-yl]butanoic acid Traditional Name: 4-[5-methoxy-3-methyl-1-(4-thioformylbenzyl)indol-2-yl]butyric acid Formula: C22H23NO3S MolecularWeight: 381.48792

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3S/c1-15-19-12-18(26-2)10-11-21(19)23(20(15)4-3-5-22(24)25)13-16-6-8-17(14-27)9-7-16/h6-12,14H,3-5,13H2,1-2H3,(H,24,25)