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

Systemtic Name: methyl N-[2-[(8-chloranyl-4-methoxy-6-propanoyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Openeye Name: methyl N-[2-[(8-chloro-4-methoxy-6-propanoyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate CAS Name: N-[2-[[[8-chloro-4-methoxy-6-(1-oxopropyl)-2,3-dihydro-1,4-benzoxazin-3-yl]thio]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(8-chloro-4-methoxy-6-propanoyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Traditional Name: N-[2-[[(8-chloro-4-methoxy-6-propionyl-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C(=C1)Cl)OCC(N2OC)SCC3=CC=CC=C3NC(=O)OC

Isomeric SMILES

CCC(=O)C1=CC2=C(C(=C1)Cl)OCC(N2OC)SCC3=CC=CC=C3NC(=O)OC

InChI

InChI=1S/C21H23ClN2O5S/c1-4-18(25)14-9-15(22)20-17(10-14)24(28-3)19(11-29-20)30-12-13-7-5-6-8-16(13)23-21(26)27-2/h5-10,19H,4,11-12H2,1-3H3,(H,23,26)