(phenylmethyl) 2-[[1-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-3-methylsulfinyl-propyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[1-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-3-methylsulfinyl-propyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-3-methylsulfinyl-propyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-3-methylsulfinylpropyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-3-methylsulfinylpropyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[1-(4-keto-5-methyl-3,1-benzoxazin-2-yl)-3-methylsulfinyl-propyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)C(CCS(=O)C)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)C(CCS(=O)C)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O6S/c1-17-8-6-11-19-22(17)25(31)35-24(28-19)20(13-15-36(2)33)27-23(30)21-12-7-14-29(21)26(32)34-16-18-9-4-3-5-10-18/h3-6,8-11,20-21H,7,12-16H2,1-2H3,(H,27,30)