methyl (E)-2-[3,4-dihydro-1,2-thiazin-2-yl(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate

Systemtic Name: methyl (E)-2-[3,4-dihydro-1,2-thiazin-2-yl(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate Openeye Name: methyl (E)-2-[3,4-dihydrothiazin-2-yl(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[3,4-dihydrothiazin-2-yl-(4-methyl-1-oxopentyl)amino]-5-phenyl-4-pentenoic acid methyl ester IUPAC Name: methyl (E)-2-[3,4-dihydrothiazin-2-yl(4-methylpentanoyl)amino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[3,4-dihydrothiazin-2-yl(4-methylpentanoyl)amino]-5-phenyl-pent-4-enoic acid methyl ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CC=CC1=CC=CC=C1)C(=O)OC)N2CCC=CS2

Isomeric SMILES

CC(C)CCC(=O)N(C(C/C=C/C1=CC=CC=C1)C(=O)OC)N2CCC=CS2

InChI

InChI=1S/C22H30N2O3S/c1-18(2)14-15-21(25)24(23-16-7-8-17-28-23)20(22(26)27-3)13-9-12-19-10-5-4-6-11-19/h4-6,8-12,17-18,20H,7,13-16H2,1-3H3/b12-9+