ethyl (Z)-3-(4-chlorophenyl)-2-isothiocyanato-prop-2-enoate

Systemtic Name: ethyl (Z)-3-(4-chlorophenyl)-2-isothiocyanato-prop-2-enoate Openeye Name: ethyl (Z)-3-(4-chlorophenyl)-2-isothiocyanato-prop-2-enoate CAS Name: (Z)-3-(4-chlorophenyl)-2-isothiocyanato-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-(4-chlorophenyl)-2-isothiocyanatoprop-2-enoate Traditional Name: (Z)-3-(4-chlorophenyl)-2-isothiocyanato-acrylic acid ethyl ester Formula: C12H10ClNO2S MolecularWeight: 267.7313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)Cl)N=C=S

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=C(C=C1)Cl)/N=C=S

InChI

InChI=1S/C12H10ClNO2S/c1-2-16-12(15)11(14-8-17)7-9-3-5-10(13)6-4-9/h3-7H,2H2,1H3/b11-7-