ethyl 2-[(E)-2-cyano-3-(1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(E)-2-cyano-3-(1H-indol-3-yl)-3-oxidanylidene-prop-1-enyl]sulfanylethanoate Openeye Name: ethyl 2-[(E)-2-cyano-3-(1H-indol-3-yl)-3-oxo-prop-1-enyl]sulfanylacetate CAS Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)-3-oxoprop-1-enyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-cyano-3-(1H-indol-3-yl)-3-oxoprop-1-enyl]sulfanylacetate Traditional Name: 2-[[(E)-2-cyano-3-(1H-indol-3-yl)-3-keto-prop-1-enyl]thio]acetic acid ethyl ester Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC=C(C#N)C(=O)C1=CNC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)CS/C=C(\C#N)/C(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C16H14N2O3S/c1-2-21-15(19)10-22-9-11(7-17)16(20)13-8-18-14-6-4-3-5-12(13)14/h3-6,8-9,18H,2,10H2,1H3/b11-9+