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

Systemtic Name: methyl 5-[(E)-3-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]thiophene-2-carboxylate CAS Name: 5-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]thiophene-2-carboxylate Traditional Name: 5-[(E)-3-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]thiophene-2-carboxylic acid methyl ester Formula: C15H20N2O2S MolecularWeight: 292.3965

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C=CCC2CCCCC(=N2)N

Isomeric SMILES

COC(=O)C1=CC=C(S1)/C=C/CC2CCCCC(=N2)N

InChI

InChI=1S/C15H20N2O2S/c1-19-15(18)13-10-9-12(20-13)7-4-6-11-5-2-3-8-14(16)17-11/h4,7,9-11H,2-3,5-6,8H2,1H3,(H2,16,17)/b7-4+