methyl 4-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C18H18N2O4S/c1-18(2)8-12-14(13(21)9-18)25-17(19-12)20-15(22)10-4-6-11(7-5-10)16(23)24-3/h4-7H,8-9H2,1-3H3,(H,19,20,22)