1-(3-nitrophenyl)ethyl 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: 1-(3-nitrophenyl)ethyl 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid 1-(3-nitrophenyl)ethyl ester Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO4S/c1-11-15-8-3-4-9-16(15)24-17(11)18(20)23-12(2)13-6-5-7-14(10-13)19(21)22/h3-10,12H,1-2H3