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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-11(2)9-17-14(19)10-21-16(20)8-7-15-18-12-5-3-4-6-13(12)22-15/h3-8,11H,9-10H2,1-2H3,(H,17,19)/b8-7+