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

Systemtic Name: S-(3-azanyl-3-oxidanylidene-prop-1-en-2-yl) 4-heptoxybenzenecarbothioate Openeye Name: S-(1-carbamoylvinyl) 4-heptoxybenzenecarbothioate CAS Name: 4-heptoxybenzenecarbothioic acid S-(3-amino-3-oxoprop-1-en-2-yl) ester IUPAC Name: S-(3-amino-3-oxoprop-1-en-2-yl) 4-heptoxybenzenecarbothioate Traditional Name: 4-heptoxythiobenzoic acid S-(1-carbamoylvinyl) ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)SC(=C)C(=O)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)SC(=C)C(=O)N

InChI

InChI=1S/C17H23NO3S/c1-3-4-5-6-7-12-21-15-10-8-14(9-11-15)17(20)22-13(2)16(18)19/h8-11H,2-7,12H2,1H3,(H2,18,19)