S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3-(chloromethyl)benzenecarbothioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3-(chloromethyl)benzenecarbothioate Openeye Name: S-(1-carbamoylvinyl) 3-(chloromethyl)benzenecarbothioate CAS Name: 3-(chloromethyl)benzenecarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 3-(chloromethyl)benzenecarbothioate Traditional Name: 3-(chloromethyl)thiobenzoic acid S-(1-carbamoylvinyl) ester Formula: C11H10ClNO2S MolecularWeight: 255.7206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)N)SC(=O)C1=CC(=CC=C1)CCl

Isomeric SMILES

C=C(C(=O)N)SC(=O)C1=CC(=CC=C1)CCl

InChI

InChI=1S/C11H10ClNO2S/c1-7(10(13)14)16-11(15)9-4-2-3-8(5-9)6-12/h2-5H,1,6H2,(H2,13,14)