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

Systemtic Name: methyl 2-[1,1-bis(oxidanylidene)-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl]ethanoate Openeye Name: methyl 2-(1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl)acetate CAS Name: 2-(1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(1,1-dioxo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl)acetate Traditional Name: 2-(1,1-diketo-4,5-dihydro-3H-1$l^{6},2,5-benzothiadiazepin-2-yl)acetic acid methyl ester Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCNC2=CC=CC=C2S1(=O)=O

Isomeric SMILES

COC(=O)CN1CCNC2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C11H14N2O4S/c1-17-11(14)8-13-7-6-12-9-4-2-3-5-10(9)18(13,15)16/h2-5,12H,6-8H2,1H3