[2-azanyl-3-(4-chlorophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] methanesulfonate

Systemtic Name: [2-azanyl-3-(4-chlorophenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] methanesulfonate Openeye Name: [2-amino-3-(4-chlorobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-6-yl] methanesulfonate CAS Name: methanesulfonic acid [2-amino-3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] ester IUPAC Name: [2-amino-3-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-amino-3-(4-chlorobenzoyl)-4,5,6,7-tetrahydrobenzothiophen-6-yl] ester Formula: C16H16ClNO4S2 MolecularWeight: 385.88554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CS(=O)(=O)OC1CCC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H16ClNO4S2/c1-24(20,21)22-11-6-7-12-13(8-11)23-16(18)14(12)15(19)9-2-4-10(17)5-3-9/h2-5,11H,6-8,18H2,1H3