methyl 2-[7-ethanoyl-1,1-bis(oxidanylidene)-3,6-dihydro-1,2,7-thiadiazepin-2-yl]-3-phenyl-propanoate

Systemtic Name: methyl 2-[7-ethanoyl-1,1-bis(oxidanylidene)-3,6-dihydro-1,2,7-thiadiazepin-2-yl]-3-phenyl-propanoate Openeye Name: methyl 2-(7-acetyl-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-2-yl)-3-phenyl-propanoate CAS Name: 2-(7-acetyl-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-2-yl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(7-acetyl-1,1-dioxo-3,6-dihydro-1,2,7-thiadiazepin-2-yl)-3-phenylpropanoate Traditional Name: 2-(7-acetyl-1,1-diketo-3,6-dihydro-1,2,7-thiadiazepin-2-yl)-3-phenyl-propionic acid methyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC=CCN(S1(=O)=O)C(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1CC=CCN(S1(=O)=O)C(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H20N2O5S/c1-13(19)17-10-6-7-11-18(24(17,21)22)15(16(20)23-2)12-14-8-4-3-5-9-14/h3-9,15H,10-12H2,1-2H3