4-azanyl-7-methyl-3,4-dihydro-2H-1-benzothiepin-5-one

Systemtic Name: 4-azanyl-7-methyl-3,4-dihydro-2H-1-benzothiepin-5-one Openeye Name: 4-amino-7-methyl-3,4-dihydro-2H-1-benzothiepin-5-one CAS Name: 4-amino-7-methyl-3,4-dihydro-2H-1-benzothiepin-5-one IUPAC Name: 4-amino-7-methyl-3,4-dihydro-2H-1-benzothiepin-5-one Traditional Name: 4-amino-7-methyl-3,4-dihydro-2H-1-benzothiepin-5-one Formula: C11H13NOS MolecularWeight: 207.29202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCCC(C2=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)SCCC(C2=O)N

InChI

InChI=1S/C11H13NOS/c1-7-2-3-10-8(6-7)11(13)9(12)4-5-14-10/h2-3,6,9H,4-5,12H2,1H3