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

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 3-phenylpropanethioate Openeye Name: S-(1-carbamoylvinyl) 3-phenylpropanethioate CAS Name: 3-phenylpropanethioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 3-phenylpropanethioate Traditional Name: 3-phenylpropanethioic acid S-(1-carbamoylvinyl) ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)N)SC(=O)CCC1=CC=CC=C1

Isomeric SMILES

C=C(C(=O)N)SC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C12H13NO2S/c1-9(12(13)15)16-11(14)8-7-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H2,13,15)