O2-[3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-4-oxidanylidene-chromen-7-yl] O1-ethyl ethanedioate

Systemtic Name: O2-[3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-4-oxidanylidene-chromen-7-yl] O1-ethyl ethanedioate Openeye Name: O2-[3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-4-oxo-chromen-7-yl] O1-ethyl oxalate CAS Name: oxalic acid O2-[3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-4-oxo-1-benzopyran-7-yl] ester O1-ethyl ester IUPAC Name: 2-O-[3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-4-oxochromen-7-yl] 1-O-ethyl oxalate Traditional Name: oxalic acid O2-[3-(1,3-benzothiazol-2-yl)-2-carbethoxy-6-ethyl-4-keto-chromen-7-yl] ester O1-ethyl ester Formula: C25H21NO8S MolecularWeight: 495.50114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)OC(=O)C(=O)OCC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)OC(=O)C(=O)OCC

InChI

InChI=1S/C25H21NO8S/c1-4-13-11-14-17(12-16(13)34-25(30)24(29)32-6-3)33-21(23(28)31-5-2)19(20(14)27)22-26-15-9-7-8-10-18(15)35-22/h7-12H,4-6H2,1-3H3