methyl N-[2-[(6-chloranyl-7-ethyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate

Systemtic Name: methyl N-[2-[(6-chloranyl-7-ethyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Openeye Name: methyl N-[2-[(6-chloro-7-ethyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate CAS Name: N-[2-[[(6-chloro-7-ethyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(6-chloro-7-ethyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Traditional Name: N-[2-[[(6-chloro-7-ethyl-4-propargyl-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1Cl)N(C(CO2)SCC3=CC=CC=C3NC(=O)OC)CC#C

Isomeric SMILES

CCC1=CC2=C(C=C1Cl)N(C(CO2)SCC3=CC=CC=C3NC(=O)OC)CC#C

InChI

InChI=1S/C22H23ClN2O3S/c1-4-10-25-19-12-17(23)15(5-2)11-20(19)28-13-21(25)29-14-16-8-6-7-9-18(16)24-22(26)27-3/h1,6-9,11-12,21H,5,10,13-14H2,2-3H3,(H,24,26)