methyl 2-[2-[1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidin-2-yl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(5-chloranylthiophen-2-yl)sulfonylpyrrolidin-2-yl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]pyrrolidine-2-carbonyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-[(5-chloro-2-thiophenyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carbonyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-[(5-chloro-2-thienyl)sulfonyl]prolyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17ClN4O7S3 MolecularWeight: 545.00888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H17ClN4O7S3/c1-31-16(25)10-22-13-9-11(24(27)28)4-5-14(13)32-19(22)21-18(26)12-3-2-8-23(12)34(29,30)17-7-6-15(20)33-17/h4-7,9,12H,2-3,8,10H2,1H3