(phenylmethyl) 1-(aziridin-2-yl-methoxy-phenyl-methyl)-2,4-bis(oxidanylidene)-1,3-thiazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 1-(aziridin-2-yl-methoxy-phenyl-methyl)-2,4-bis(oxidanylidene)-1,3-thiazolidine-1-carboxylate Openeye Name: benzyl 1-(aziridin-2-yl-methoxy-phenyl-methyl)-2,4-dioxo-1,3-thiazolidine-1-carboxylate CAS Name: 1-(2-aziridinyl-methoxy-phenylmethyl)-2,4-dioxo-1,3-thiazolidine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(aziridin-2-yl-methoxy-phenylmethyl)-2,4-dioxo-1,3-thiazolidine-1-carboxylate Traditional Name: 1-(ethylenimin-2-yl-methoxy-phenyl-methyl)-2,4-diketo-1,3-thiazolidine-1-carboxylic acid benzyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CN1)(C2=CC=CC=C2)S3(CC(=O)NC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(C1CN1)(C2=CC=CC=C2)S3(CC(=O)NC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O5S/c1-27-21(17-12-22-17,16-10-6-3-7-11-16)29(14-18(24)23-19(29)25)20(26)28-13-15-8-4-2-5-9-15/h2-11,17,22H,12-14H2,1H3,(H,23,24,25)