ethyl 3-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[4-(azepan-1-ylsulfonyl)phenyl]carbonylimino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[4-(azepan-1-ylsulfonyl)benzoyl]imino-4,7-dimethoxy-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)N4CCCCCC4)OC)OC

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OC)OC

InChI

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