diethyl (E)-2-[(2-methylsulfonyl-1,3-benzothiazol-6-yl)amino]but-2-enedioate

Systemtic Name: diethyl (E)-2-[(2-methylsulfonyl-1,3-benzothiazol-6-yl)amino]but-2-enedioate Openeye Name: diethyl (E)-2-[(2-methylsulfonyl-1,3-benzothiazol-6-yl)amino]but-2-enedioate CAS Name: (E)-2-[(2-methylsulfonyl-1,3-benzothiazol-6-yl)amino]-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-[(2-methylsulfonyl-1,3-benzothiazol-6-yl)amino]but-2-enedioate Traditional Name: (E)-2-[(2-mesyl-1,3-benzothiazol-6-yl)amino]but-2-enedioic acid diethyl ester Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)NC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)/C=C(\C(=O)OCC)/NC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)C

InChI

InChI=1S/C16H18N2O6S2/c1-4-23-14(19)9-12(15(20)24-5-2)17-10-6-7-11-13(8-10)25-16(18-11)26(3,21)22/h6-9,17H,4-5H2,1-3H3/b12-9+