(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-(4-nitrophenyl)furan-2-yl]methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-(4-nitrophenyl)furan-2-yl]methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-(4-nitrophenyl)-2-furyl]methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-(4-nitrophenyl)-2-furanyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-(4-nitrophenyl)furan-2-yl]methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-(4-nitrophenyl)-2-furyl]methanone Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O4S/c1-14-12-13-22(17-4-2-3-5-20(17)28-14)21(24)19-11-10-18(27-19)15-6-8-16(9-7-15)23(25)26/h2-11,14H,12-13H2,1H3