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

Systemtic Name: (3E)-6-methyl-3-[2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Openeye Name: (3E)-6-methyl-3-[2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione CAS Name: (3E)-6-methyl-3-[2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione IUPAC Name: (3E)-6-methyl-3-[2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Traditional Name: (3E)-6-methyl-3-[2-(4-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-quinone Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CC1=CC(=O)/C(=C\2/CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])/C(=O)O1

InChI

InChI=1S/C21H16N2O5S/c1-12-10-17(24)20(21(25)28-12)16-11-19(13-6-8-14(9-7-13)23(26)27)29-18-5-3-2-4-15(18)22-16/h2-10,19,22H,11H2,1H3/b20-16+