methyl (3S,4R)-2-(4-ethoxycarbonylphenyl)-6-methylidene-3-phenyl-4-thiophen-3-yl-1,2-oxazepane-4-carboxylate

Systemtic Name: methyl (3S,4R)-2-(4-ethoxycarbonylphenyl)-6-methylidene-3-phenyl-4-thiophen-3-yl-1,2-oxazepane-4-carboxylate Openeye Name: methyl (3S,4R)-2-(4-ethoxycarbonylphenyl)-6-methylene-3-phenyl-4-(3-thienyl)oxazepane-4-carboxylate CAS Name: (3S,4R)-2-(4-ethoxycarbonylphenyl)-6-methylene-3-phenyl-4-(3-thiophenyl)-4-oxazepanecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-2-(4-ethoxycarbonylphenyl)-6-methylidene-3-phenyl-4-thiophen-3-yloxazepane-4-carboxylate Traditional Name: (3S,4R)-2-(4-carbethoxyphenyl)-6-methylene-3-phenyl-4-(3-thienyl)oxazepane-4-carboxylic acid methyl ester Formula: C27H27NO5S MolecularWeight: 477.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(C(CC(=C)CO2)(C3=CSC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2[C@H]([C@@](CC(=C)CO2)(C3=CSC=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H27NO5S/c1-4-32-25(29)21-10-12-23(13-11-21)28-24(20-8-6-5-7-9-20)27(26(30)31-3,16-19(2)17-33-28)22-14-15-34-18-22/h5-15,18,24H,2,4,16-17H2,1,3H3/t24-,27+/m0/s1