5-[(E)-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(E)-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]thiophene-2-carboxylic acid CAS Name: 5-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-2-thenoic acid Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC=CC2=CC=C(S2)C(=O)O)N

Isomeric SMILES

C1CCC(=NC(C1)C/C=C/C2=CC=C(S2)C(=O)O)N

InChI

InChI=1S/C14H18N2O2S/c15-13-7-2-1-4-10(16-13)5-3-6-11-8-9-12(19-11)14(17)18/h3,6,8-10H,1-2,4-5,7H2,(H2,15,16)(H,17,18)/b6-3+