O1-ethyl O4-methyl 3-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)butanedioate

Systemtic Name: O1-ethyl O4-methyl 3-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)butanedioate Openeye Name: O1-ethyl O4-methyl 3-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)butanedioate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)butanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 3-(1,3-benzodioxol-5-yl)-2-(2,1,3-benzothiadiazol-5-yl)butanedioate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-piazthiol-5-yl-succinic acid O1-ethyl ester O4-methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC2=NSN=C2C=C1)C(C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCOC(=O)C(C1=CC2=NSN=C2C=C1)C(C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C20H18N2O6S/c1-3-26-20(24)18(11-4-6-13-14(8-11)22-29-21-13)17(19(23)25-2)12-5-7-15-16(9-12)28-10-27-15/h4-9,17-18H,3,10H2,1-2H3