methyl 3-[4,7-dimethoxy-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[4,7-dimethoxy-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[4,7-dimethoxy-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[4,7-dimethoxy-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4,7-dimethoxy-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[4,7-dimethoxy-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C27H23N3O5S2 MolecularWeight: 533.61862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)N2CCC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)N2CCC(=O)OC

InChI

InChI=1S/C27H23N3O5S2/c1-33-20-10-11-21(34-2)25-24(20)30(13-12-23(31)35-3)27(37-25)29-26(32)17-15-19(22-9-6-14-36-22)28-18-8-5-4-7-16(17)18/h4-11,14-15H,12-13H2,1-3H3