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

Systemtic Name: 6-methyl-3-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(2S)-2-(3-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(2S)-2-(3-thiophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(2S)-2-thiophen-3-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(2S)-2-(3-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=CSC=C4)C(=O)O1

Isomeric SMILES

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

InChI

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