2-azanyl-4-[4-(2-oxidanyl-2-prop-2-enyl-pent-4-enoxy)phenyl]thiophene-3-carboxylic acid

Systemtic Name: 2-azanyl-4-[4-(2-oxidanyl-2-prop-2-enyl-pent-4-enoxy)phenyl]thiophene-3-carboxylic acid Openeye Name: 4-[4-(2-allyl-2-hydroxy-pent-4-enoxy)phenyl]-2-amino-thiophene-3-carboxylic acid CAS Name: 2-amino-4-[4-(2-hydroxy-2-prop-2-enylpent-4-enoxy)phenyl]-3-thiophenecarboxylic acid IUPAC Name: 2-amino-4-[4-(2-hydroxy-2-prop-2-enylpent-4-enoxy)phenyl]thiophene-3-carboxylic acid Traditional Name: 4-[4-(2-allyl-2-hydroxy-pent-4-enoxy)phenyl]-2-amino-3-thenoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(COC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)N)O

Isomeric SMILES

C=CCC(CC=C)(COC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)N)O

InChI

InChI=1S/C19H21NO4S/c1-3-9-19(23,10-4-2)12-24-14-7-5-13(6-8-14)15-11-25-17(20)16(15)18(21)22/h3-8,11,23H,1-2,9-10,12,20H2,(H,21,22)