(2S)-2-methyl-1,1-bis(oxidanylidene)-5-propyl-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one

Systemtic Name: (2S)-2-methyl-1,1-bis(oxidanylidene)-5-propyl-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one Openeye Name: (2S)-2-methyl-1,1-dioxo-5-propyl-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one CAS Name: (2S)-2-methyl-1,1-dioxo-5-propyl-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one IUPAC Name: (2S)-2-methyl-1,1-dioxo-5-propyl-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one Traditional Name: (2S)-1,1-diketo-2-methyl-5-propyl-2,3-dihydro-1$l^{6},5-benzothiazepin-4-one Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CC(S(=O)(=O)C2=CC=CC=C21)C

Isomeric SMILES

CCCN1C(=O)C[C@@H](S(=O)(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C13H17NO3S/c1-3-8-14-11-6-4-5-7-12(11)18(16,17)10(2)9-13(14)15/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1