methyl 2-[(3-phenylpyrrolidin-1-yl)carbothioylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-phenylpyrrolidin-1-yl)carbothioylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-phenylpyrrolidine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-phenyl-1-pyrrolidinyl)-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-phenylpyrrolidine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-phenylpyrrolidine-1-carbothioyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)N3CCC(C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)N3CCC(C3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N3O2S2/c1-25-18(24)14-7-8-16-17(11-14)27-19(21-16)22-20(26)23-10-9-15(12-23)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3,(H,21,22,26)