(2R,4S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-7-methyl-5-oxidanylidene-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxamide

Systemtic Name: (2R,4S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-7-methyl-5-oxidanylidene-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxamide Openeye Name: (2R,4S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxamide CAS Name: (2R,4S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepin-2-carboxamide IUPAC Name: (2R,4S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-7-methyl-5-oxo-4-phenyl-1,2-dihydro-3-benzothiepine-2-carboxamide Traditional Name: (2R,4S)-N-[4-(diethoxyphosphorylmethyl)phenyl]-5-keto-7-methyl-4-phenyl-1,2-dihydro-3-benzothiepin-2-carboxamide Formula: C29H32NO5PS MolecularWeight: 537.606841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)C2CC3=C(C=C(C=C3)C)C(=O)C(S2)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)NC(=O)[C@H]2CC3=C(C=C(C=C3)C)C(=O)[C@@H](S2)C4=CC=CC=C4)OCC

InChI

InChI=1S/C29H32NO5PS/c1-4-34-36(33,35-5-2)19-21-12-15-24(16-13-21)30-29(32)26-18-23-14-11-20(3)17-25(23)27(31)28(37-26)22-9-7-6-8-10-22/h6-17,26,28H,4-5,18-19H2,1-3H3,(H,30,32)/t26-,28+/m1/s1