[(2S)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] furan-2-carboxylate

Systemtic Name: [(2S)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] furan-2-carboxylate Openeye Name: [(1S)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [(1S)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CO4

InChI

InChI=1S/C22H18N2O4S/c1-14(28-22(26)18-6-4-12-27-18)21(25)23-16-10-8-15(9-11-16)13-20-24-17-5-2-3-7-19(17)29-20/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m0/s1