ethyl 2-(2-chloranylethanoylamino)-5-(dimethylaminomethyl)-4-phenyl-thiophene-3-carboxylate chloride

Systemtic Name: ethyl 2-(2-chloranylethanoylamino)-5-(dimethylaminomethyl)-4-phenyl-thiophene-3-carboxylate chloride Openeye Name: ethyl 2-[(2-chloroacetyl)amino]-5-(dimethylaminomethyl)-4-phenyl-thiophene-3-carboxylate chloride CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-5-(dimethylaminomethyl)-4-phenyl-3-thiophenecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 2-[(2-chloroacetyl)amino]-5-(dimethylaminomethyl)-4-phenylthiophene-3-carboxylate chloride Traditional Name: 2-[(2-chloroacetyl)amino]-5-(dimethylaminomethyl)-4-phenyl-thiophene-3-carboxylic acid ethyl ester chloride Formula: C18H21Cl2N2O3S- MolecularWeight: 416.34194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CN(C)C)NC(=O)CCl.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)CN(C)C)NC(=O)CCl.[Cl-]

InChI

InChI=1S/C18H21ClN2O3S.ClH/c1-4-24-18(23)16-15(12-8-6-5-7-9-12)13(11-21(2)3)25-17(16)20-14(22)10-19;/h5-9H,4,10-11H2,1-3H3,(H,20,22);1H/p-1