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

Systemtic Name: methyl 2-[1,1-bis(oxidanylidene)-3,6-dihydro-2H-1,2,7-thiadiazepin-7-yl]-3-phenyl-propanoate Openeye Name: methyl 2-(1,1-dioxo-3,6-dihydro-2H-1,2,7-thiadiazepin-7-yl)-3-phenyl-propanoate CAS Name: 2-(1,1-dioxo-3,6-dihydro-2H-1,2,7-thiadiazepin-7-yl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(1,1-dioxo-3,6-dihydro-2H-1,2,7-thiadiazepin-7-yl)-3-phenylpropanoate Traditional Name: 2-(1,1-diketo-3,6-dihydro-2H-1,2,7-thiadiazepin-7-yl)-3-phenyl-propionic acid methyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2CC=CCNS2(=O)=O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N2CC=CCNS2(=O)=O

InChI

InChI=1S/C14H18N2O4S/c1-20-14(17)13(11-12-7-3-2-4-8-12)16-10-6-5-9-15-21(16,18)19/h2-8,13,15H,9-11H2,1H3