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

Systemtic Name: methyl N-[2-[(8-chloranyl-6-propanoyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-methoxy-carbamate Openeye Name: methyl N-[2-[(8-chloro-6-propanoyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-methoxy-carbamate CAS Name: N-[2-[[[8-chloro-6-(1-oxopropyl)-2H-1,4-benzoxazin-3-yl]thio]methyl]phenyl]-N-methoxycarbamic acid methyl ester IUPAC Name: methyl N-[2-[(8-chloro-6-propanoyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-methoxycarbamate Traditional Name: N-[2-[[(8-chloro-6-propionyl-2H-1,4-benzoxazin-3-yl)thio]methyl]phenyl]-N-methoxy-carbamic acid methyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S/c1-4-18(25)14-9-15(22)20-16(10-14)23-19(11-29-20)30-12-13-7-5-6-8-17(13)24(28-3)21(26)27-2/h5-10H,4,11-12H2,1-3H3