6-methyl-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione

Systemtic Name: 6-methyl-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-quinone Formula: C21H17NO3S MolecularWeight: 363.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)O1

InChI

InChI=1S/C21H17NO3S/c1-13-11-17(23)20(21(24)25-13)16-12-19(14-7-3-2-4-8-14)26-18-10-6-5-9-15(18)22-16/h2-11,19,22H,12H2,1H3/t19-/m0/s1