methyl N-[2-[(8-chloranyl-6-propanoyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynyl-carbamate

Systemtic Name: methyl N-[2-[(8-chloranyl-6-propanoyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynyl-carbamate Openeye Name: methyl N-[2-[(8-chloro-6-propanoyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynyl-carbamate CAS Name: N-[2-[[[8-chloro-6-(1-oxopropyl)-2H-1,4-benzoxazin-3-yl]thio]methyl]phenyl]-N-prop-2-ynylcarbamic acid methyl ester IUPAC Name: methyl N-[2-[(8-chloro-6-propanoyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynylcarbamate Traditional Name: N-[2-[[(8-chloro-6-propionyl-2H-1,4-benzoxazin-3-yl)thio]methyl]phenyl]-N-propargyl-carbamic acid methyl ester Formula: C23H21ClN2O4S MolecularWeight: 456.94184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C(=C1)Cl)OCC(=N2)SCC3=CC=CC=C3N(CC#C)C(=O)OC

Isomeric SMILES

CCC(=O)C1=CC2=C(C(=C1)Cl)OCC(=N2)SCC3=CC=CC=C3N(CC#C)C(=O)OC

InChI

InChI=1S/C23H21ClN2O4S/c1-4-10-26(23(28)29-3)19-9-7-6-8-15(19)14-31-21-13-30-22-17(24)11-16(20(27)5-2)12-18(22)25-21/h1,6-9,11-12H,5,10,13-14H2,2-3H3