3-(prop-2-enylcarbamoylsulfanylmethyl)indole-1-carboxylic acid

Systemtic Name: 3-(prop-2-enylcarbamoylsulfanylmethyl)indole-1-carboxylic acid Openeye Name: 3-(allylcarbamoylsulfanylmethyl)indole-1-carboxylic acid CAS Name: 3-[[[oxo-(prop-2-enylamino)methyl]thio]methyl]-1-indolecarboxylic acid IUPAC Name: 3-(prop-2-enylcarbamoylsulfanylmethyl)indole-1-carboxylic acid Traditional Name: 3-[(allylcarbamoylthio)methyl]indole-1-carboxylic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)SCC1=CN(C2=CC=CC=C21)C(=O)O

Isomeric SMILES

C=CCNC(=O)SCC1=CN(C2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-2-7-15-13(17)20-9-10-8-16(14(18)19)12-6-4-3-5-11(10)12/h2-6,8H,1,7,9H2,(H,15,17)(H,18,19)