2-[3-(4-chlorophenyl)sulfanyl-4-(cyclopropylcarbonylamino)-2-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(cyclopropylcarbonylamino)-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(cyclopropanecarbonylamino)-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-4-[[cyclopropyl(oxo)methyl]amino]-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-4-(cyclopropanecarbonylamino)-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-4-(cyclopropanecarbonylamino)-2-methyl-indol-1-yl]acetic acid Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C3CC3)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C3CC3)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-12-20(28-15-9-7-14(22)8-10-15)19-16(23-21(27)13-5-6-13)3-2-4-17(19)24(12)11-18(25)26/h2-4,7-10,13H,5-6,11H2,1H3,(H,23,27)(H,25,26)