[2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20BrN3O4S/c1-2-10-24(12-15-7-8-18(22)30-15)19(26)13-29-20(27)9-11-25-14-23-17-6-4-3-5-16(17)21(25)28/h2-8,14H,1,9-13H2