ethyl 2-acetamido-7-chloranyl-6-[(prop-2-enylamino)methyl]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-chloranyl-6-[(prop-2-enylamino)methyl]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-[(allylamino)methyl]-7-chloro-benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-chloro-6-[(prop-2-enylamino)methyl]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-chloro-6-[(prop-2-enylamino)methyl]-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-[(allylamino)methyl]-7-chloro-benzothiophene-3-carboxylic acid ethyl ester Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)CNCC=C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2Cl)CNCC=C)NC(=O)C

InChI

InChI=1S/C17H19ClN2O3S/c1-4-8-19-9-11-6-7-12-13(17(22)23-5-2)16(20-10(3)21)24-15(12)14(11)18/h4,6-7,19H,1,5,8-9H2,2-3H3,(H,20,21)