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

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-2-propenoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)acrylic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)OC(=O)C=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)OC(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H22N2O3S/c1-3-24(4-2)22(26)21(16-10-6-5-7-11-16)27-20(25)15-14-19-23-17-12-8-9-13-18(17)28-19/h5-15,21H,3-4H2,1-2H3/b15-14+/t21-/m0/s1