methyl 2-[4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-methoxy-2-(tetralin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-methoxy-2-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-methoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-methoxy-2-(tetralin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC4=C(CCCC4)C=C3)N2CC(=O)OC

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC4=C(CCCC4)C=C3)N2CC(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-27-17-8-5-9-18-20(17)24(13-19(25)28-2)22(29-18)23-21(26)16-11-10-14-6-3-4-7-15(14)12-16/h5,8-12H,3-4,6-7,13H2,1-2H3