methyl 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]benzoate CAS Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]benzoate Traditional Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid methyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O3S/c1-25-20(24)14-10-8-13(9-11-14)19(23)22-12-4-6-16(22)18-21-15-5-2-3-7-17(15)26-18/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1