[(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-methyl-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [(1R)-2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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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=CN4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CN4

InChI

InChI=1S/C22H19N3O3S/c1-14(28-22(27)18-6-4-12-23-18)21(26)24-16-10-8-15(9-11-16)13-20-25-17-5-2-3-7-19(17)29-20/h2-12,14,23H,13H2,1H3,(H,24,26)/t14-/m1/s1