5-(2-azanylethyl)-2,3-dimethyl-1,5-benzothiazepin-4-one

Systemtic Name: 5-(2-azanylethyl)-2,3-dimethyl-1,5-benzothiazepin-4-one Openeye Name: 5-(2-aminoethyl)-2,3-dimethyl-1,5-benzothiazepin-4-one CAS Name: 5-(2-aminoethyl)-2,3-dimethyl-1,5-benzothiazepin-4-one IUPAC Name: 5-(2-aminoethyl)-2,3-dimethyl-1,5-benzothiazepin-4-one Traditional Name: 5-(2-aminoethyl)-2,3-dimethyl-1,5-benzothiazepin-4-one Formula: C13H16N2OS MolecularWeight: 248.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C2N(C1=O)CCN)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C2N(C1=O)CCN)C

InChI

InChI=1S/C13H16N2OS/c1-9-10(2)17-12-6-4-3-5-11(12)15(8-7-14)13(9)16/h3-6H,7-8,14H2,1-2H3