(3-chloranyl-1-benzothiophen-2-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C19H15ClN2O5S MolecularWeight: 418.8508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN2O5S/c20-18-14-3-1-2-4-15(14)28-16(18)11-27-17(23)9-10-21-19(24)12-5-7-13(8-6-12)22(25)26/h1-8H,9-11H2,(H,21,24)