[(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] azepane-1-carboxylate

Systemtic Name: [(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] azepane-1-carboxylate Openeye Name: [(E)-(4-diethoxyphosphinothioyloxyphenyl)methyleneamino] azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid [(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] ester IUPAC Name: [(E)-(4-diethoxyphosphinothioyloxyphenyl)methylideneamino] azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid [(E)-(4-diethoxythiophosphoryloxybenzylidene)amino] ester Formula: C18H27N2O5PS MolecularWeight: 414.456141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OC1=CC=C(C=C1)C=NOC(=O)N2CCCCCC2

Isomeric SMILES

CCOP(=S)(OCC)OC1=CC=C(C=C1)/C=N/OC(=O)N2CCCCCC2

InChI

InChI=1S/C18H27N2O5PS/c1-3-22-26(27,23-4-2)25-17-11-9-16(10-12-17)15-19-24-18(21)20-13-7-5-6-8-14-20/h9-12,15H,3-8,13-14H2,1-2H3/b19-15+