ethyl 3-[4,7-dimethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[4,7-dimethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[4,7-dimethoxy-2-[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4,7-dimethoxy-2-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-[4-(2-methylpiperidino)sulfonylbenzoyl]imino-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C27H33N3O7S2 MolecularWeight: 575.69682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4C)OC)OC

InChI

InChI=1S/C27H33N3O7S2/c1-5-37-23(31)15-17-29-24-21(35-3)13-14-22(36-4)25(24)38-27(29)28-26(32)19-9-11-20(12-10-19)39(33,34)30-16-7-6-8-18(30)2/h9-14,18H,5-8,15-17H2,1-4H3