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

Systemtic Name: [2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate Openeye Name: [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic 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] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C(=O)COC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C(=O)COC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C17H17BrN2O3S/c1-2-9-20(10-14-7-8-15(18)24-14)16(21)11-23-17(22)12-3-5-13(19)6-4-12/h2-8H,1,9-11,19H2