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

Systemtic Name: 6-methyl-3-[(2S)-2-(2-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Openeye Name: 6-methyl-3-[(2S)-2-(2-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione CAS Name: 6-methyl-3-[(2S)-2-(2-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione IUPAC Name: 6-methyl-3-[(2S)-2-(2-nitrophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]pyran-2,4-dione Traditional Name: 6-methyl-3-[(2S)-2-(2-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=CC=C4[N+](=O)[O-])C(=O)O1

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O5S/c1-12-10-17(24)20(21(25)28-12)15-11-19(13-6-2-4-8-16(13)23(26)27)29-18-9-5-3-7-14(18)22-15/h2-10,19,22H,11H2,1H3/t19-/m0/s1