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

Systemtic Name: methyl N-[2-[(6-phenyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynyl-carbamate Openeye Name: methyl N-[2-[(6-phenyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynyl-carbamate CAS Name: N-[2-[[(6-phenyl-2H-1,4-benzoxazin-3-yl)thio]methyl]phenyl]-N-prop-2-ynylcarbamic acid methyl ester IUPAC Name: methyl N-[2-[(6-phenyl-2H-1,4-benzoxazin-3-yl)sulfanylmethyl]phenyl]-N-prop-2-ynylcarbamate Traditional Name: N-[2-[[(6-phenyl-2H-1,4-benzoxazin-3-yl)thio]methyl]phenyl]-N-propargyl-carbamic acid methyl ester Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC#C)C1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C4=CC=CC=C4)OC2

Isomeric SMILES

COC(=O)N(CC#C)C1=CC=CC=C1CSC2=NC3=C(C=CC(=C3)C4=CC=CC=C4)OC2

InChI

InChI=1S/C26H22N2O3S/c1-3-15-28(26(29)30-2)23-12-8-7-11-21(23)18-32-25-17-31-24-14-13-20(16-22(24)27-25)19-9-5-4-6-10-19/h1,4-14,16H,15,17-18H2,2H3