ethyl 2-[2-(1H-indol-3-ylcarbonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1H-indol-3-ylcarbonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1H-indole-3-carbonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1H-indol-3-yl(oxo)methyl]imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1H-indole-3-carbonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1H-indole-3-carbonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H21N3O3S/c1-4-28-20(26)12-25-18-9-13(2)14(3)10-19(18)29-22(25)24-21(27)16-11-23-17-8-6-5-7-15(16)17/h5-11,23H,4,12H2,1-3H3