ethyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylimino-6-propan-2-yl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[1-(4-chlorophenyl)sulfonylprolyl]imino-6-isopropyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H28ClN3O5S2 MolecularWeight: 550.08992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(C)C)SC1=NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O5S2/c1-4-34-23(30)15-28-20-12-7-17(16(2)3)14-22(20)35-25(28)27-24(31)21-6-5-13-29(21)36(32,33)19-10-8-18(26)9-11-19/h7-12,14,16,21H,4-6,13,15H2,1-3H3