methyl 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O3S/c1-26-19(24)13-6-4-7-14(12-13)21-20(25)23-11-5-9-16(23)18-22-15-8-2-3-10-17(15)27-18/h2-4,6-8,10,12,16H,5,9,11H2,1H3,(H,21,25)