methyl 1-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]cycloheptanecarboxylate CAS Name: 1-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C=CC2=CC=C(S2)Br

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)/C=C/C2=CC=C(S2)Br

InChI

InChI=1S/C16H20BrNO3S/c1-21-15(20)16(10-4-2-3-5-11-16)18-14(19)9-7-12-6-8-13(17)22-12/h6-9H,2-5,10-11H2,1H3,(H,18,19)/b9-7+