O4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate

Systemtic Name: O4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] O1-ethyl (E)-but-2-enedioate Openeye Name: O4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] O1-ethyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 4-O-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N(C)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N(C)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H18N2O5S/c1-3-23-16(21)8-9-17(22)24-11-15(20)19(2)10-14-18-12-6-4-5-7-13(12)25-14/h4-9H,3,10-11H2,1-2H3/b9-8+