3-[[2-(3-chloranyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[2-(3-chloranyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-(3-chlorobenzothiophen-2-yl)-2-oxo-ethyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[2-(3-chloro-1-benzothiophen-2-yl)-2-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-(3-chloro-1-benzothiophen-2-yl)-2-oxoethyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-(3-chlorobenzothiophen-2-yl)-2-keto-ethyl]amino]-5-phenyl-2-thenoic acid Formula: C21H14ClNO3S2 MolecularWeight: 427.92376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NCC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(S2)C(=O)O)NCC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H14ClNO3S2/c22-18-13-8-4-5-9-16(13)27-20(18)15(24)11-23-14-10-17(28-19(14)21(25)26)12-6-2-1-3-7-12/h1-10,23H,11H2,(H,25,26)