methyl (2R)-2-[1,1-bis(oxidanylidene)-7-phenoxy-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl]propanoate

Systemtic Name: methyl (2R)-2-[1,1-bis(oxidanylidene)-7-phenoxy-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl]propanoate Openeye Name: methyl (2R)-2-(1,1-dioxo-7-phenoxy-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl)propanoate CAS Name: (2R)-2-(1,1-dioxo-7-phenoxy-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(1,1-dioxo-7-phenoxy-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl)propanoate Traditional Name: (2R)-2-(1,1-diketo-7-phenoxy-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl)propionic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1CCNC2=C(S1(=O)=O)C=CC(=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OC)N1CCNC2=C(S1(=O)=O)C=CC(=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O5S/c1-13(18(21)24-2)20-11-10-19-16-12-15(8-9-17(16)26(20,22)23)25-14-6-4-3-5-7-14/h3-9,12-13,19H,10-11H2,1-2H3/t13-/m1/s1