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

Systemtic Name: methyl 3-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O3S/c1-14-9-10-15(22(27)28-2)12-17(14)23-20(26)13-25-11-5-7-18(25)21-24-16-6-3-4-8-19(16)29-21/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3,(H,23,26)/t18-/m1/s1