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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CSC(=C1C2CCCCC(=N2)N)C(=O)O

Isomeric SMILES

C/C=C/C1=CSC(=C1C2CCCCC(=N2)N)C(=O)O

InChI

InChI=1S/C14H18N2O2S/c1-2-5-9-8-19-13(14(17)18)12(9)10-6-3-4-7-11(15)16-10/h2,5,8,10H,3-4,6-7H2,1H3,(H2,15,16)(H,17,18)/b5-2+