(3-chloranyl-1-benzothiophen-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C19H13ClN2O3S MolecularWeight: 384.83612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)Cl

InChI

InChI=1S/C19H13ClN2O3S/c20-18-14-3-1-2-4-15(14)26-16(18)11-25-19(24)12-5-7-13(8-6-12)22-17(23)9-10-21/h1-8H,9,11H2,(H,22,23)