S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-methoxybenzenecarbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 3-methoxybenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 3-methoxybenzenecarbothioate CAS Name: 3-methoxybenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 3-methoxybenzenecarbothioate Traditional Name: 3-methoxythiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C19H27NO3S MolecularWeight: 349.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC(=CC=C1)OC

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC(=CC=C1)OC

InChI

InChI=1S/C19H27NO3S/c1-3-4-5-6-7-8-13-20-18(21)12-14-24-19(22)16-10-9-11-17(15-16)23-2/h9-12,14-15H,3-8,13H2,1-2H3,(H,20,21)/b14-12+