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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-(isopentylamino)-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-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C=CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)/C=C/C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H20N2O3S/c1-12(2)9-10-18-15(20)11-22-17(21)8-7-16-19-13-5-3-4-6-14(13)23-16/h3-8,12H,9-11H2,1-2H3,(H,18,20)/b8-7+