[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H20N2O3S2 MolecularWeight: 436.5465

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=CC=C(S2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H20N2O3S2/c1-3-15-8-10-16(11-9-15)24-21(26)14(2)28-23(27)20-13-12-19(29-20)22-25-17-6-4-5-7-18(17)30-22/h4-14H,3H2,1-2H3,(H,24,26)/t14-/m0/s1