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

Systemtic Name: methyl N-[2-[(6-chloranyl-7-ethyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynyl-carbamate Openeye Name: methyl N-[2-[(6-chloro-7-ethyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynyl-carbamate CAS Name: N-[2-[[(6-chloro-7-ethyl-2H-1,4-benzoxazin-3-yl)thio]methyl]phenyl]-N-prop-2-ynylcarbamic acid methyl ester IUPAC Name: methyl N-[2-[(6-chloro-7-ethyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynylcarbamate Traditional Name: N-[2-[[(6-chloro-7-ethyl-2H-1,4-benzoxazin-3-yl)thio]methyl]phenyl]-N-propargyl-carbamic acid methyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1Cl)N=C(CO2)SCC3=CC=CC=C3N(CC#C)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1Cl)N=C(CO2)SCC3=CC=CC=C3N(CC#C)C(=O)OC

InChI

InChI=1S/C22H21ClN2O3S/c1-4-10-25(22(26)27-3)19-9-7-6-8-16(19)14-29-21-13-28-20-11-15(5-2)17(23)12-18(20)24-21/h1,6-9,11-12H,5,10,13-14H2,2-3H3