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

Systemtic Name: ethyl 2-[6-acetamido-2-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-[4-[(3-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-[4-(3-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)N4CCCC(C4)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)N4CCCC(C4)C

InChI

InChI=1S/C26H30N4O6S2/c1-4-36-24(32)16-30-22-12-9-20(27-18(3)31)14-23(22)37-26(30)28-25(33)19-7-10-21(11-8-19)38(34,35)29-13-5-6-17(2)15-29/h7-12,14,17H,4-6,13,15-16H2,1-3H3,(H,27,31)