2-azanyl-4-[(E)-2-(2-chloranyl-4-propan-2-yl-phenyl)ethenyl]thiophene-3-carboxylic acid

Systemtic Name: 2-azanyl-4-[(E)-2-(2-chloranyl-4-propan-2-yl-phenyl)ethenyl]thiophene-3-carboxylic acid Openeye Name: 2-amino-4-[(E)-2-(2-chloro-4-isopropyl-phenyl)vinyl]thiophene-3-carboxylic acid CAS Name: 2-amino-4-[(E)-2-(2-chloro-4-propan-2-ylphenyl)ethenyl]-3-thiophenecarboxylic acid IUPAC Name: 2-amino-4-[(E)-2-(2-chloro-4-propan-2-ylphenyl)ethenyl]thiophene-3-carboxylic acid Traditional Name: 2-amino-4-[(E)-2-(2-chloro-4-isopropyl-phenyl)vinyl]-3-thenoic acid Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C=CC2=CSC(=C2C(=O)O)N)Cl

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)/C=C/C2=CSC(=C2C(=O)O)N)Cl

InChI

InChI=1S/C16H16ClNO2S/c1-9(2)11-5-3-10(13(17)7-11)4-6-12-8-21-15(18)14(12)16(19)20/h3-9H,18H2,1-2H3,(H,19,20)/b6-4+