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

Systemtic Name: ethyl 2-[6-acetamido-2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[4-(4-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C26H30N4O6S2 MolecularWeight: 558.6696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

InChI

InChI=1S/C26H30N4O6S2/c1-4-36-24(32)16-30-22-10-7-20(27-18(3)31)15-23(22)37-26(30)28-25(33)19-5-8-21(9-6-19)38(34,35)29-13-11-17(2)12-14-29/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,27,31)