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

Systemtic Name: methyl N-[2-[(7-methyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Openeye Name: methyl N-[2-[(7-methyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate CAS Name: N-[2-[[(7-methyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(7-methyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Traditional Name: N-[2-[[(7-methyl-4-propargyl-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(CO2)SCC3=CC=CC=C3NC(=O)OC)CC#C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(CO2)SCC3=CC=CC=C3NC(=O)OC)CC#C

InChI

InChI=1S/C21H22N2O3S/c1-4-11-23-18-10-9-15(2)12-19(18)26-13-20(23)27-14-16-7-5-6-8-17(16)22-21(24)25-3/h1,5-10,12,20H,11,13-14H2,2-3H3,(H,22,24)