3-[1-(ethylcarbamothioyl)-5-methoxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(ethylcarbamothioyl)-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-(ethylcarbamothioyl)-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-[ethylamino(sulfanylidene)methyl]-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(ethylcarbamothioyl)-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-(ethylthiocarbamoyl)-5-methoxy-indol-3-yl]propionic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1C=C(C2=C1C=CC(=C2)OC)CCC(=O)O

Isomeric SMILES

CCNC(=S)N1C=C(C2=C1C=CC(=C2)OC)CCC(=O)O

InChI

InChI=1S/C15H18N2O3S/c1-3-16-15(21)17-9-10(4-7-14(18)19)12-8-11(20-2)5-6-13(12)17/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,21)(H,18,19)