[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[allyl(2-thenyl)amino]-2-keto-ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=CS1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C=CCN(CC1=CC=CS1)C(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C17H17ClN2O3S/c1-2-7-20(10-13-4-3-8-24-13)16(21)11-23-17(22)12-5-6-14(18)15(19)9-12/h2-6,8-9H,1,7,10-11,19H2