3-[(2S)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one

Systemtic Name: 3-[(2S)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Openeye Name: 3-[(2S)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one CAS Name: 3-[(2S)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1-benzopyran-2-one IUPAC Name: 3-[(2S)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]chromen-2-one Traditional Name: 3-[(2S)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]coumarin Formula: C24H16N2O4S MolecularWeight: 428.45984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4OC3=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4OC3=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H16N2O4S/c27-24-18(13-16-5-1-3-7-21(16)30-24)20-14-23(15-9-11-17(12-10-15)26(28)29)31-22-8-4-2-6-19(22)25-20/h1-13,23H,14H2/t23-/m0/s1