[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)C=CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H13N3O4S/c1-15-14(20)17-11(18)8-21-13(19)7-6-12-16-9-4-2-3-5-10(9)22-12/h2-7H,8H2,1H3,(H2,15,17,18,20)/b7-6+