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

Systemtic Name: methyl 3-[2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(tetralin-6-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(5,6,7,8-tetrahydronaphthalene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(tetralin-6-carbonylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H22N2O3S/c1-27-20(25)12-13-24-18-8-4-5-9-19(18)28-22(24)23-21(26)17-11-10-15-6-2-3-7-16(15)14-17/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3