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

Systemtic Name: methyl 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O3S/c1-27-21(26)14-8-10-15(11-9-14)22-19(25)13-24-12-4-6-17(24)20-23-16-5-2-3-7-18(16)28-20/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,22,25)/t17-/m1/s1