ethyl 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carbonyl)amino]benzoate CAS Name: 4-[[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepine-8-carbonyl)amino]benzoate Traditional Name: 4-[(5-methyl-2,3,4,5-tetrahydro-1-benzothiepin-8-carbonyl)amino]benzoic acid ethyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(CCCS3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(CCCS3)C

InChI

InChI=1S/C21H23NO3S/c1-3-25-21(24)15-6-9-17(10-7-15)22-20(23)16-8-11-18-14(2)5-4-12-26-19(18)13-16/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,23)