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

Systemtic Name: 6-methyl-3-[(2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(2S)-2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(2S)-2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(2S)-2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-quinone Formula: C19H15NO3S2 MolecularWeight: 369.4573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=CS4)C(=O)O1

Isomeric SMILES

CC1=CC(=O)C(=C2C[C@H](SC3=CC=CC=C3N2)C4=CC=CS4)C(=O)O1

InChI

InChI=1S/C19H15NO3S2/c1-11-9-14(21)18(19(22)23-11)13-10-17(16-7-4-8-24-16)25-15-6-3-2-5-12(15)20-13/h2-9,17,20H,10H2,1H3/t17-/m0/s1