S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-phenylbutanethioate

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-phenylbutanethioate Openeye Name: S-(1-carbamoylvinyl) 4-phenylbutanethioate CAS Name: 4-phenylbutanethioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 4-phenylbutanethioate Traditional Name: 4-phenylbutanethioic acid S-(1-carbamoylvinyl) ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(=O)N)SC(=O)CCCC1=CC=CC=C1

Isomeric SMILES

C=C(C(=O)N)SC(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C13H15NO2S/c1-10(13(14)16)17-12(15)9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,1,5,8-9H2,(H2,14,16)