3,3-dibutyl-8-methoxy-5-(4-nitrophenyl)-1,1-bis(oxidanylidene)-2H-1$l^{6},5-benzothiazepin-4-one

Systemtic Name: 3,3-dibutyl-8-methoxy-5-(4-nitrophenyl)-1,1-bis(oxidanylidene)-2H-1$l^{6},5-benzothiazepin-4-one Openeye Name: 3,3-dibutyl-8-methoxy-5-(4-nitrophenyl)-1,1-dioxo-2H-1$l^{6},5-benzothiazepin-4-one CAS Name: 3,3-dibutyl-8-methoxy-5-(4-nitrophenyl)-1,1-dioxo-2H-1$l^{6},5-benzothiazepin-4-one IUPAC Name: 3,3-dibutyl-8-methoxy-5-(4-nitrophenyl)-1,1-dioxo-2H-1$l^{6},5-benzothiazepin-4-one Traditional Name: 3,3-dibutyl-1,1-diketo-8-methoxy-5-(4-nitrophenyl)-2H-1$l^{6},5-benzothiazepin-4-one Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=CC(=C2)OC)N(C1=O)C3=CC=C(C=C3)[N+](=O)[O-])CCCC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=CC(=C2)OC)N(C1=O)C3=CC=C(C=C3)[N+](=O)[O-])CCCC

InChI

InChI=1S/C24H30N2O6S/c1-4-6-14-24(15-7-5-2)17-33(30,31)22-16-20(32-3)12-13-21(22)25(23(24)27)18-8-10-19(11-9-18)26(28)29/h8-13,16H,4-7,14-15,17H2,1-3H3