4-methyl-5-oxidanylidene-2,3-dihydro-1-benzothiepine-4-carboxamide

Systemtic Name: 4-methyl-5-oxidanylidene-2,3-dihydro-1-benzothiepine-4-carboxamide Openeye Name: 4-methyl-5-oxo-2,3-dihydro-1-benzothiepine-4-carboxamide CAS Name: 4-methyl-5-oxo-2,3-dihydro-1-benzothiepin-4-carboxamide IUPAC Name: 4-methyl-5-oxo-2,3-dihydro-1-benzothiepine-4-carboxamide Traditional Name: 5-keto-4-methyl-2,3-dihydro-1-benzothiepin-4-carboxamide Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=CC=CC=C2C1=O)C(=O)N

Isomeric SMILES

CC1(CCSC2=CC=CC=C2C1=O)C(=O)N

InChI

InChI=1S/C12H13NO2S/c1-12(11(13)15)6-7-16-9-5-3-2-4-8(9)10(12)14/h2-5H,6-7H2,1H3,(H2,13,15)