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

Systemtic Name: methyl 2-[6-acetamido-2-(5,6,7,8-tetrahydronaphthalen-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-acetamido-2-(tetralin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[oxo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-acetamido-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(tetralin-6-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(CCCC4)C=C3)S2)CC(=O)OC

InChI

InChI=1S/C23H23N3O4S/c1-14(27)24-18-9-10-19-20(12-18)31-23(26(19)13-21(28)30-2)25-22(29)17-8-7-15-5-3-4-6-16(15)11-17/h7-12H,3-6,13H2,1-2H3,(H,24,27)