O4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)C=CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H18N2O6S/c1-3-23-11-5-6-12-13(9-11)26-17(18-12)19-14(20)10-25-16(22)8-7-15(21)24-4-2/h5-9H,3-4,10H2,1-2H3,(H,18,19,20)/b8-7+