ethyl 2-[6-ethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-[4-(2-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C)S2)CC(=O)OCC

InChI

InChI=1S/C26H31N3O6S2/c1-4-34-20-11-14-22-23(16-20)36-26(28(22)17-24(30)35-5-2)27-25(31)19-9-12-21(13-10-19)37(32,33)29-15-7-6-8-18(29)3/h9-14,16,18H,4-8,15,17H2,1-3H3