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

Systemtic Name: methyl N-[2-[(6-butanoyl-8-chloranyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Openeye Name: methyl N-[2-[(6-butanoyl-8-chloro-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate CAS Name: N-[2-[[[8-chloro-6-(1-oxobutyl)-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl]thio]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-[(6-butanoyl-8-chloro-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Traditional Name: N-[2-[[(6-butyryl-8-chloro-4-propargyl-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester Formula: C24H25ClN2O4S MolecularWeight: 472.9843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C(=C1)Cl)OCC(N2CC#C)SCC3=CC=CC=C3NC(=O)OC

Isomeric SMILES

CCCC(=O)C1=CC2=C(C(=C1)Cl)OCC(N2CC#C)SCC3=CC=CC=C3NC(=O)OC

InChI

InChI=1S/C24H25ClN2O4S/c1-4-8-21(28)17-12-18(25)23-20(13-17)27(11-5-2)22(14-31-23)32-15-16-9-6-7-10-19(16)26-24(29)30-3/h2,6-7,9-10,12-13,22H,4,8,11,14-15H2,1,3H3,(H,26,29)