2-[(5-chloranyl-2-phenyl-1H-indol-3-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(5-chloranyl-2-phenyl-1H-indol-3-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(5-chloro-2-phenyl-1H-indol-3-yl)sulfanyl]butanedioic acid CAS Name: 2-[(5-chloro-2-phenyl-1H-indol-3-yl)thio]butanedioic acid IUPAC Name: 2-[(5-chloro-2-phenyl-1H-indol-3-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(5-chloro-2-phenyl-1H-indol-3-yl)thio]succinic acid Formula: C18H14ClNO4S MolecularWeight: 375.82606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Cl)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)Cl)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H14ClNO4S/c19-11-6-7-13-12(8-11)17(25-14(18(23)24)9-15(21)22)16(20-13)10-4-2-1-3-5-10/h1-8,14,20H,9H2,(H,21,22)(H,23,24)