methyl 2-[[1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-[(5-chloro-2-thienyl)sulfonyl]prolyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16ClN3O5S3 MolecularWeight: 485.98474

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H16ClN3O5S3/c1-27-17(24)10-4-5-11-13(9-10)28-18(20-11)21-16(23)12-3-2-8-22(12)30(25,26)15-7-6-14(19)29-15/h4-7,9,12H,2-3,8H2,1H3,(H,20,21,23)