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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-(tert-butylamino)-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-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-16(2,3)18-13(19)10-21-15(20)9-8-14-17-11-6-4-5-7-12(11)22-14/h4-9H,10H2,1-3H3,(H,18,19)/b9-8+