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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [2-(cycloheptylamino)-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-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H22N2O3S/c22-17(20-14-7-3-1-2-4-8-14)13-24-19(23)12-11-18-21-15-9-5-6-10-16(15)25-18/h5-6,9-12,14H,1-4,7-8,13H2,(H,20,22)/b12-11+