2-diethylaminoethyl 4-isothiocyanatobenzoate

Systemtic Name: 2-diethylaminoethyl 4-isothiocyanatobenzoate Openeye Name: 2-diethylaminoethyl 4-isothiocyanatobenzoate CAS Name: 4-isothiocyanatobenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-isothiocyanatobenzoate Traditional Name: 4-isothiocyanatobenzoic acid 2-diethylaminoethyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N=C=S

InChI

InChI=1S/C14H18N2O2S/c1-3-16(4-2)9-10-18-14(17)12-5-7-13(8-6-12)15-11-19/h5-8H,3-4,9-10H2,1-2H3