1-[2-(4-carboxyphenyl)sulfanylethyl]-3-dodecanoyl-indole-2-carboxylic acid

Systemtic Name: 1-[2-(4-carboxyphenyl)sulfanylethyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[2-(4-carboxyphenyl)sulfanylethyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[2-[(4-carboxyphenyl)thio]ethyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[2-(4-carboxyphenyl)sulfanylethyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[2-[(4-carboxyphenyl)thio]ethyl]-3-lauroyl-indole-2-carboxylic acid Formula: C30H37NO5S MolecularWeight: 523.68348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCSC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCSC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C30H37NO5S/c1-2-3-4-5-6-7-8-9-10-15-26(32)27-24-13-11-12-14-25(24)31(28(27)30(35)36)20-21-37-23-18-16-22(17-19-23)29(33)34/h11-14,16-19H,2-10,15,20-21H2,1H3,(H,33,34)(H,35,36)