methyl 4-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]benzoate CAS Name: 4-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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