ethyl 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepine-7-carbonyl)amino]benzoate CAS Name: 4-[[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepine-7-carbonyl)amino]benzoate Traditional Name: 4-[(3,3-dimethyl-2,4-dihydro-1,5-benzodithiepin-7-carbonyl)amino]benzoic acid ethyl ester Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(CS3)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCC(CS3)(C)C

InChI

InChI=1S/C21H23NO3S2/c1-4-25-20(24)14-5-8-16(9-6-14)22-19(23)15-7-10-17-18(11-15)27-13-21(2,3)12-26-17/h5-11H,4,12-13H2,1-3H3,(H,22,23)