2-methylsulfanylethyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

Systemtic Name: 2-methylsulfanylethyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate Openeye Name: 2-methylsulfanylethyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate CAS Name: N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate Traditional Name: N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamic acid 2-(methylthio)ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)NC1=CC2=C(C=C1)OCCN2CC3=CN=CN3

Isomeric SMILES

CSCCOC(=O)NC1=CC2=C(C=C1)OCCN2CC3=CN=CN3

InChI

InChI=1S/C16H20N4O3S/c1-24-7-6-23-16(21)19-12-2-3-15-14(8-12)20(4-5-22-15)10-13-9-17-11-18-13/h2-3,8-9,11H,4-7,10H2,1H3,(H,17,18)(H,19,21)