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

Systemtic Name: ethyl 4-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoylamino]benzoate Openeye Name: ethyl 4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoylamino]benzoate CAS Name: 4-[[[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoylamino]benzoate Traditional Name: 4-[(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)carbamoylamino]benzoic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C

InChI

InChI=1S/C19H21N3O4S/c1-4-26-16(24)11-5-7-12(8-6-11)20-17(25)22-18-21-13-9-19(2,3)10-14(23)15(13)27-18/h5-8H,4,9-10H2,1-3H3,(H2,20,21,22,25)