methyl (2R)-4-(3-thiophen-3-ylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-thiophen-3-ylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: methyl (2R)-4-[3-(3-thienyl)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2R)-4-[1-oxo-3-(3-thiophenyl)propyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-thiophen-3-ylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2R)-4-[3-(3-thienyl)propanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid methyl ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CCC3=CSC=C3

Isomeric SMILES

COC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)CCC3=CSC=C3

InChI

InChI=1S/C17H17NO4S/c1-21-17(20)15-10-18(13-4-2-3-5-14(13)22-15)16(19)7-6-12-8-9-23-11-12/h2-5,8-9,11,15H,6-7,10H2,1H3/t15-/m1/s1