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

Systemtic Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]benzoate CAS Name: 2-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]benzoate Traditional Name: 2-[[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=C1NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

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