methyl 3-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]prop-2-ynoate

Systemtic Name: methyl 3-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]prop-2-ynoate Openeye Name: methyl 3-[2-(benzyloxycarbonylamino)ethylsulfanyl]prop-2-ynoate CAS Name: 3-[2-(phenylmethoxycarbonylamino)ethylthio]-2-propynoic acid methyl ester IUPAC Name: methyl 3-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]prop-2-ynoate Traditional Name: 3-[2-(benzyloxycarbonylamino)ethylthio]propiolic acid methyl ester Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CSCCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C#CSCCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H15NO4S/c1-18-13(16)7-9-20-10-8-15-14(17)19-11-12-5-3-2-4-6-12/h2-6H,8,10-11H2,1H3,(H,15,17)