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

Systemtic Name: methyl N-[2-[(6-phenyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Openeye Name: methyl N-[2-[(6-phenyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate CAS Name: N-[2-[[(6-phenyl-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-phenyl-4-prop-2-ynyl-2,3-dihydro-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]carbamate Traditional Name: N-[2-[[(6-phenyl-4-propargyl-2,3-dihydro-1,4-benzoxazin-3-yl)thio]methyl]phenyl]carbamic acid methyl ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=CC=C1CSC2COC3=C(N2CC#C)C=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)NC1=CC=CC=C1CSC2COC3=C(N2CC#C)C=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c1-3-15-28-23-16-20(19-9-5-4-6-10-19)13-14-24(23)31-17-25(28)32-18-21-11-7-8-12-22(21)27-26(29)30-2/h1,4-14,16,25H,15,17-18H2,2H3,(H,27,29)