3-[2-[bis(2-chloroethyl)amino]-5-formamido-phenyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[2-[bis(2-chloroethyl)amino]-5-formamido-phenyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[2-[bis(2-chloroethyl)amino]-5-formamido-phenyl]benzothiophene-2-carboxylic acid CAS Name: 3-[2-[bis(2-chloroethyl)amino]-5-formamidophenyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[2-[bis(2-chloroethyl)amino]-5-formamidophenyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[2-[bis(2-chloroethyl)amino]-5-formamido-phenyl]benzothiophene-2-carboxylic acid Formula: C20H18Cl2N2O3S MolecularWeight: 437.33952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)C3=C(C=CC(=C3)NC=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)C3=C(C=CC(=C3)NC=O)N(CCCl)CCCl

InChI

InChI=1S/C20H18Cl2N2O3S/c21-7-9-24(10-8-22)16-6-5-13(23-12-25)11-15(16)18-14-3-1-2-4-17(14)28-19(18)20(26)27/h1-6,11-12H,7-10H2,(H,23,25)(H,26,27)